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Impurities and reference standards

Tacrolimus impurity 2

Also known as FK506-a, Tacrolimus Impurity 10, (E/Z)-FK-506 26,28-Allylic Ester Rearrangement Impurity

Formula C44H69NO12Molar mass 804.03 g/mol
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Tacrolimus impurity 2 chemical structure, C44H69NO12
2D chemical structure

Key facts

What buyers check first

All properties
Formula
C44H69NO12
Molar mass
804.03 g/mol
HS code
293499
Category
Impurities and reference standards

What is Tacrolimus impurity 2?

Plain description, key identifiers and synonyms

Tacrolimus impurity 2 is a chemical substance with the molecular formula C44H69NO12 and a molar mass of 804.03 g/mol. The IUPAC name is (1R,9S,12R,13E,15S,16S,19R,20E,23S,25S,26R,27S,29R)-1,16-dihydroxy-12-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]-25,27-dimethoxy-13,15,21,23,29-pentamethyl-19-prop-2-enyl-11,30-dioxa-4-azatricyclo[24.3.1.04,9]triaconta-13,20-diene-2,3,10,18-tetrone.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(1R,9S,12R,13E,15S,16S,19R,20E,23S,25S,26R,27S,29R)-1,16-dihydroxy-12-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]-25,27-dimethoxy-13,15,21,23,29-pentamethyl-19-prop-2-enyl-11,30-dioxa-4-azatricyclo[24.3.1.04,9]triaconta-13,20-diene-2,3,10,18-tetrone
Molecular formula
C44H69NO12
UNII
Y8RY7CLE8L
InChIKey
CISNOWSTVWQKDD-JYBSSGHFSA-N
InChI
InChI=1S/C44H69NO12/c1-10-13-30-19-25(2)18-26(3)20-37(54-8)40-38(55-9)22-29(6)44(52,57-40)41(49)42(50)45-17-12-11-14-32(45)43(51)56-39(31-15-16-33(46)36(23-31)53-7)28(5)21-27(4)34(47)24-35(30)48/h10,19,21,26-27,29-34,36-40,46-47,52H,1,11-18,20,22-24H2,2-9H3/b25-19+,28-21+/t26-,27-,29+,30+,31+,32-,33+,34-,36+,37-,38-,39-,40+,44+/m0/s1
Canonical SMILES
C=CCC1C=C(C)CC(C)CC(OC)C2OC(O)(C(=O)C(=O)N3CCCCC3C(=O)OC(C3CCC(O)C(OC)C3)C(C)=CC(C)C(O)CC1=O)C(C)CC2OC
Isomeric SMILES
C[C@@H]1C[C@@H]([C@@H]2[C@H](C[C@H]([C@@](O2)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@@H](/C(=C/[C@@H]([C@H](CC(=O)[C@@H](/C=C(/C1)\C)CC=C)O)C)/C)[C@@H]4CC[C@H]([C@@H](C4)OC)O)O)C)OC)OC

Synonyms

  • FK506-a
  • Tacrolimus Impurity 10
  • (E/Z)-FK-506 26,28-Allylic Ester Rearrangement Impurity
  • (E/Z)-FK-506 26,28-Allylic Ester Rearrangement Impurity (>90%)

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
804.03 g/molcalc.
Exact mass
803.482 Dacalc.
LogP (octanol/water)
4.64calc.
Topological polar surface area
178.4 Ųcalc.
Hydrogen bond donors
3calc.
Hydrogen bond acceptors
12calc.
Rotatable bonds
6calc.
Heavy atoms
57calc.
Rings
4calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.77calc.
Formal charge
0calc.
Stereocentres
14calc.
Lipinski rule of five
Fails (2 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=C1CC=CCCCCC2CCCC(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C2CCCCC2)C=CCCC1

O=C1CC=CCCCCC2CCCC(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C2CCCCC2)C=CCCC1

4 rings, 40 atoms.

6 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.

Tacrolimus impurity 2 suppliers

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Tacrolimus impurity 2 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

Applications are not documented for this substance yet. Suppliers often describe uses on their product pages, linked in the suppliers list above.

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 Tacrolimus impurity 2 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 Tacrolimus impurity 2 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Tacrolimus impurity 2, based on the data on this page

What is Tacrolimus impurity 2?

Tacrolimus impurity 2 is a chemical substance with the molecular formula C44H69NO12 and a molar mass of 804.03 g/mol.

What is the molecular formula and weight of Tacrolimus impurity 2?

The molecular formula of Tacrolimus impurity 2 is C44H69NO12 and its molar mass is 804.03 g/mol.

Is Tacrolimus impurity 2 hazardous?

No GHS hazard classification for Tacrolimus impurity 2 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 Tacrolimus impurity 2?

Tacrolimus impurity 2 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 Tacrolimus impurity 2?

Post a free request on CompoundList and suppliers of Tacrolimus impurity 2 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Tacrolimus impurity 2?

Suppliers quote Tacrolimus impurity 2 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 Tacrolimus impurity 2

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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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