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Heterocyclic building blocks

Biotin methyl ester

Also known as Biotinmethylester, (+)-biotin methyl ester, D-(+)-Biotin methyl ester

CAS 608-16-2Formula C11H18N2O3SMolar mass 258.34 g/mol
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Biotin methyl ester chemical structure, C11H18N2O3S, CAS 608-16-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
608-16-2
Formula
C11H18N2O3S
Molar mass
258.34 g/mol
HS code
293499
Category
Heterocyclic building blocks

What is Biotin methyl ester?

Plain description, key identifiers and synonyms

Biotin methyl ester is a chemical substance with the molecular formula C11H18N2O3S and a molar mass of 258.34 g/mol. Its CAS registry number is 608-16-2. The IUPAC name is methyl 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
methyl 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoate
CAS number
608-16-2Other or deprecated CAS: 60562-11-0
Molecular formula
C11H18N2O3S
UNII
H3S7E3P0H6
MDL number
MFCD27578197
InChIKey
BHEWJAXNLVWPSC-NRPADANISA-N
InChI
InChI=1S/C11H18N2O3S/c1-16-9(14)5-3-2-4-8-10-7(6-17-8)12-11(15)13-10/h7-8,10H,2-6H2,1H3,(H2,12,13,15)/t7-,8-,10-/m0/s1
Canonical SMILES
COC(=O)CCCCC1SCC2NC(=O)NC21
Isomeric SMILES
COC(=O)CCCC[C@H]1[C@@H]2[C@H](CS1)NC(=O)N2

Synonyms

  • Biotinmethylester
  • (+)-biotin methyl ester
  • D-(+)-Biotin methyl ester
  • d-biotin methyl ester
  • methyl 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoate
  • methyl 5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanoate
  • methyl 5-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanoate
  • methyl 5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoate
  • Methyl 5-[(3as,4S,6ar)-2-oxo-hexahydrothieno[3,4-d]imidazolidin-4-yl]pentanoate
  • Methyl 5-[(1S,2S,5R)-7-oxo-3-thia-6,8-diazabicyclo[3.3.0]oct-2-yl]pent anoate
  • 1H-Thieno(3,4-d)imidazole-4-pentanoic acid, hexahydro-2-oxo-, methyl ester, (3as-(3a.alpha.,4beta,6a.alpha.))-
  • Biotin, methyl ester
  • Biotin-COOMe
  • methyl 5-((1S,2S,5R)-7-oxo-3-thia-6,8-diazabicyclo[3.3.0]oct-2-yl)pentanoate
  • Methyl 5-(2-hydroxy-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-6-yl)pentanoate
  • 1H-Thieno(3,4-d)imidazole-4-pentanoic acid, hexahydro-2-oxo-, methyl ester, (3aalpha,4beta,6aalpha)-(+-)-
  • 1H-Thieno(3,4-d)imidazole-4-pentanoic acid, hexahydro-2-oxo-, methyl ester, (3as,4S,6ar)-
  • Methyl 5-[(3aR,6S,6aS)-2-hydroxy-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-6-yl]pentanoate

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
258.34 g/molcalc.
Exact mass
258.1038 Dacalc.
LogP (octanol/water)
0.89calc.
Topological polar surface area
67.43 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
5calc.
Heavy atoms
17calc.
Rings
2calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.82calc.
Formal charge
0calc.
Stereocentres
3calc.
Lipinski rule of five
Passes (0 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, O=C1NC2CSCC2N1

O=C1NC2CSCC2N1

2 rings, 9 atoms.

443 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Biotin methyl ester suppliers

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  • PolyOrg
    United States ManufacturerUnclaimed profile
    Biotin methyl esterGrade, purity and minimum order on request
    Price on request
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Biotin methyl ester price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Biotin methyl ester is traded under.

HS 2934.99Indicative HS code

Nucleic acids and their salts, other heterocyclic compounds, not elsewhere classified in heading 2934

World exports in 2024
$26.7B
+15.0% vs 2023, imports $26.3B
2019 to 2024
Top exporters
  1. Ireland26.3%
  2. China15.7%
  3. Singapore10.3%
Top importers
  1. United States24.5%
  2. Germany23.1%
  3. Japan4.5%
Reported customs values in USD, not prices.Full trade data

The HS code shown for Biotin methyl ester is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Biotin methyl ester, based on the data on this page

What is Biotin methyl ester?

Biotin methyl ester is a chemical substance with the molecular formula C11H18N2O3S and a molar mass of 258.34 g/mol. Its CAS registry number is 608-16-2. The IUPAC name is methyl 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoate.

What is the CAS number of Biotin methyl ester?

The CAS registry number of Biotin methyl ester is 608-16-2. Other or deprecated CAS numbers: 60562-11-0.

What is the molecular formula and weight of Biotin methyl ester?

The molecular formula of Biotin methyl ester is C11H18N2O3S and its molar mass is 258.34 g/mol.

What is Biotin methyl ester used for?

Known uses and roles of Biotin methyl ester include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Biotin methyl ester hazardous?

No GHS hazard classification for Biotin methyl ester is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of Biotin methyl ester?

Biotin methyl ester is usually classified under HS code 293499 (Nucleic acids and their salts, whether or not chemically defined, other heterocyclic…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Biotin methyl ester?

CompoundList lists 1 supplier of Biotin methyl ester in United States. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Biotin methyl ester?

Suppliers quote Biotin methyl ester on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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