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Screening compounds

Cryptophycin 12

CAS 168569-13-9Formula C29H35ClN2O7Molar mass 559.06 g/mol
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Cryptophycin 12 chemical structure, C29H35ClN2O7, CAS 168569-13-9
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
168569-13-9
Formula
C29H35ClN2O7
Molar mass
559.06 g/mol
HS code
293219
Category
Screening compounds

What is Cryptophycin 12?

Plain description, key identifiers and synonyms

Cryptophycin 12 is a chemical substance with the molecular formula C29H35ClN2O7 and a molar mass of 559.06 g/mol. Its CAS registry number is 168569-13-9. The IUPAC name is (2R)-3-[[(2R)-3-(3-chloro-4-methoxyphenyl)-2-[[(E)-4-[(2S,3R,4R,5S)-4-hydroxy-3-methyl-5-phenyloxolan-2-yl]but-2-enoyl]amino]propanoyl]amino]-2-methylpropanoic acid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(2R)-3-[[(2R)-3-(3-chloro-4-methoxyphenyl)-2-[[(E)-4-[(2S,3R,4R,5S)-4-hydroxy-3-methyl-5-phenyloxolan-2-yl]but-2-enoyl]amino]propanoyl]amino]-2-methylpropanoic acid
CAS number
168569-13-9
Molecular formula
C29H35ClN2O7
InChIKey
OSTVPMZLVSKYIL-QRJQYOAFSA-N
InChI
InChI=1S/C29H35ClN2O7/c1-17(29(36)37)16-31-28(35)22(15-19-12-13-24(38-3)21(30)14-19)32-25(33)11-7-10-23-18(2)26(34)27(39-23)20-8-5-4-6-9-20/h4-9,11-14,17-18,22-23,26-27,34H,10,15-16H2,1-3H3,(H,31,35)(H,32,33)(H,36,37)/b11-7+/t17-,18+,22-,23+,26-,27+/m1/s1
Canonical SMILES
COc1ccc(CC(NC(=O)C=CCC2OC(c3ccccc3)C(O)C2C)C(=O)NCC(C)C(=O)O)cc1Cl
Isomeric SMILES
C[C@H]1[C@@H](O[C@H]([C@@H]1O)C2=CC=CC=C2)C/C=C/C(=O)N[C@H](CC3=CC(=C(C=C3)OC)Cl)C(=O)NC[C@@H](C)C(=O)O

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
559.06 g/molcalc.
Exact mass
558.2133 Dacalc.
LogP (octanol/water)
3.3calc.
Topological polar surface area
134.2 Ųcalc.
Hydrogen bond donors
4calc.
Hydrogen bond acceptors
6calc.
Rotatable bonds
12calc.
Heavy atoms
39calc.
Rings
3calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.41calc.
Formal charge
0calc.
Stereocentres
6calc.
Lipinski rule of five
Passes (1 violation)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=C(C=CCC1CCC(c2ccccc2)O1)NCCc1ccccc1

O=C(C=CCC1CCC(c2ccccc2)O1)NCCc1ccccc1

3 rings, 25 atoms.

2 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.

Cryptophycin 12 suppliers

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Cryptophycin 12 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 Cryptophycin 12 is traded under.

HS 2932.19Indicative HS code

Compounds containing an unfused furan ring (whether or not hydrogenated) in the…

World exports in 2024
$2.62B
−6.4% vs 2023, imports $2.56B
2019 to 2024
Top exporters
  1. Germany57.9%
  2. Italy11.5%
  3. China10.4%
Top importers
  1. Greece40.4%
  2. Japan16.3%
  3. Germany12.8%
Reported customs values in USD, not prices.Full trade data

The HS code shown for Cryptophycin 12 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Cryptophycin 12, based on the data on this page

What is Cryptophycin 12?

Cryptophycin 12 is a chemical substance with the molecular formula C29H35ClN2O7 and a molar mass of 559.06 g/mol. Its CAS registry number is 168569-13-9.

What is the CAS number of Cryptophycin 12?

The CAS registry number of Cryptophycin 12 is 168569-13-9.

What is the molecular formula and weight of Cryptophycin 12?

The molecular formula of Cryptophycin 12 is C29H35ClN2O7 and its molar mass is 559.06 g/mol.

What is Cryptophycin 12 used for?

Known uses and roles of Cryptophycin 12 include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Cryptophycin 12 hazardous?

No GHS hazard classification for Cryptophycin 12 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 Cryptophycin 12?

Cryptophycin 12 is usually classified under HS code 293219 (Compounds containing an unfused furan ring (whether or not hydrogenated) in the…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Cryptophycin 12?

Post a free request on CompoundList and suppliers of Cryptophycin 12 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Cryptophycin 12?

Suppliers quote Cryptophycin 12 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 Cryptophycin 12

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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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