Cocarcinogen A3
TL;DR: Cocarcinogen A3 (CAS 20839-12-7) is a chemical compound with molecular formula C38H60O8 and molecular weight 644.43 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,2S,6R,10S,11R,13S,14R,15R)-13-acetyloxy-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxo-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] hexadecanoate
Also Known As: Cocarcinogen A3, 12-O-Hexadecanoylphorbol-13-acetate, 12-O-Hexadecanoylphorbol 13-acetate, (1aR)-9aalpha-Acetoxy-9beta-(hexadecanoyloxy)-1,1aalpha,1bbeta,4,4a,7aalpha,7b,8,9,9a-decahydro-4abeta,7balpha-dihydroxy-3-hydroxymethyl-1,1,6,8alpha-tetramethyl-5H-cyclopropa[3,4]benzo[1,2-e]azulene-5-one, (1aR)-9aalpha-Acetyloxy-1,1aalpha,1bbeta,4,4a,7aalpha,7b,8,9,9a-decahydro-4abeta,7balpha-dihydroxy-3-(hydroxymethyl)-1,1,6,8alpha-tetramethyl-9beta-palmitoyloxy-5H-cyclopropa[3,4]benz[1,2-e]azulen-5-one
| Molecular Formula | C38H60O8 |
|---|---|
| Molecular Weight | 644.43 g/mol |
| LogP | 7.6 |
| Topological Polar Surface Area | 130.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 19 |
| Exact Mass | 644.42883 |
| Heavy Atoms | 46 |
| Complexity | 1190.0 |
Chemical Identifiers
| CAS Number | 20839-12-7 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCC(=O)O[C@@H]1[C@H]([C@]2([C@@H](C=C(C[C@]3([C@H]2C=C(C3=O)C)O)CO)[C@H]4[C@@]1(C4(C)C)OC(=O)C)O)C |
| InChIKey | DPSHFDIHUAPDMN-MNAUBHHSSA-N |
Product Overview
Cocarcinogen A3 (CAS 20839-12-7), with molecular formula C38H60O8 and molecular weight 644.43 g/mol. IUPAC: [(1S,2S,6R,10S,11R,13S,14R,15R)-13-acetyloxy-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxo-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] hexadecanoate.
Chemical Property Profile of Cocarcinogen A3
Property Insights of Cocarcinogen A3
The XLogP value of 7.6 indicates that Cocarcinogen A3 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 130.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Cocarcinogen A3. Following Lipinski's Rule of Five, Cocarcinogen A3 has 3 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Cocarcinogen A3?
The CAS number of Cocarcinogen A3 is 20839-12-7.
What is the molecular formula of Cocarcinogen A3?
The molecular formula of Cocarcinogen A3 is C38H60O8.
What is the molecular weight of Cocarcinogen A3?
The molecular weight of Cocarcinogen A3 is 644.43 g/mol.
Where can I buy Cocarcinogen A3?
You can request a quote for Cocarcinogen A3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cocarcinogen A3?
Yes, KEHONG BIO provides custom synthesis services for Cocarcinogen A3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.