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Aromatic building blocks

Levodopa butyl ester

Also known as L-DOPA n-Butyl Ester, butyl (2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoate, Butyl 3-hydroxytyrosinate

CAS 39638-52-3Formula C13H19NO4Molar mass 253.30 g/mol
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Levodopa butyl ester chemical structure, C13H19NO4, CAS 39638-52-3
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
39638-52-3
Formula
C13H19NO4
Molar mass
253.30 g/mol
HS code
292250
Category
Aromatic building blocks

What is Levodopa butyl ester?

Plain description, key identifiers and synonyms

Levodopa butyl ester is a chemical substance with the molecular formula C13H19NO4 and a molar mass of 253.30 g/mol. Its CAS registry number is 39638-52-3. The IUPAC name is butyl (2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
butyl (2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoate
CAS number
39638-52-3 CAS number cross-checkedOther or deprecated CAS: 310434-11-8
Molecular formula
C13H19NO4
InChIKey
QDMOINLDXCZCEK-JTQLQIEISA-N
InChI
InChI=1S/C13H19NO4/c1-2-3-6-18-13(17)10(14)7-9-4-5-11(15)12(16)8-9/h4-5,8,10,15-16H,2-3,6-7,14H2,1H3/t10-/m0/s1
Canonical SMILES
CCCCOC(=O)C(N)Cc1ccc(O)c(O)c1
Isomeric SMILES
CCCCOC(=O)[C@H](CC1=CC(=C(C=C1)O)O)N

Synonyms

  • L-DOPA n-Butyl Ester
  • butyl (2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoate
  • Butyl 3-hydroxytyrosinate
  • L-DOPA n-Butyl Ester Hydrochloride
  • butyl 3-hydroxy-L-tyrosinate
  • L-Tyrosine, 3-hydroxy-, butyl ester

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
253.30 g/molcalc.
Exact mass
253.1314 Dacalc.
LogP (octanol/water)
1.31calc.
Topological polar surface area
92.78 Ųcalc.
Hydrogen bond donors
3calc.
Hydrogen bond acceptors
5calc.
Rotatable bonds
6calc.
Heavy atoms
18calc.
Rings
1calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.46calc.
Formal charge
0calc.
Stereocentres
1calc.
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, c1ccccc1

c1ccccc1

1 ring, 6 atoms, the Benzene ring system.

485,677 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.

Levodopa butyl ester suppliers

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Levodopa butyl ester price

Indicative price range per kg from live supplier offers

No published prices right now

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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 Levodopa butyl ester is traded under.

HS 2922.50Indicative HS code

Amino-alcohol-phenols, amino-acid-phenols and other amino-compounds with oxygen function

World exports in 2024
$3.29B
−5.9% vs 2023, imports $3.19B
2019 to 2024
Top exporters
  1. China39.2%
  2. United Kingdom27.1%
  3. India * partner reported4.8%
Top importers
  1. United States20.7%
  2. Germany7.6%
  3. Italy6.6%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

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

Frequently asked questions

Quick answers about Levodopa butyl ester, based on the data on this page

What is Levodopa butyl ester?

Levodopa butyl ester is a chemical substance with the molecular formula C13H19NO4 and a molar mass of 253.30 g/mol. Its CAS registry number is 39638-52-3. The IUPAC name is butyl (2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoate.

What is the CAS number of Levodopa butyl ester?

The CAS registry number of Levodopa butyl ester is 39638-52-3. Other or deprecated CAS numbers: 310434-11-8.

What is the molecular formula and weight of Levodopa butyl ester?

The molecular formula of Levodopa butyl ester is C13H19NO4 and its molar mass is 253.30 g/mol.

What is Levodopa butyl ester used for?

Known uses and roles of Levodopa butyl ester include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Levodopa butyl ester hazardous?

No GHS hazard classification for Levodopa butyl 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 Levodopa butyl ester?

Levodopa butyl ester is usually classified under HS code 292250 (Amino-alcohol-phenols, amino-acid-phenols and other amino-compounds with oxygen function). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Levodopa butyl ester?

Post a free request on CompoundList and suppliers of Levodopa butyl ester will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Levodopa butyl ester?

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

Guides for buyers

Practical guides that help when you source, ship or handle Levodopa butyl ester

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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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