Antcin B
TL;DR: Antcin B (CAS 163597-25-9) is a chemical compound with molecular formula C29H40O5 and molecular weight 468.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-3-methylidene-6-[(4S)-4,10,13-trimethyl-3,7,11-trioxo-1,2,4,5,6,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]heptanoic acid
Also Known As: Antcin B, NCI60_028969, 4.alpha.-Methylergosta-8,7,11-trion-26-oic acid, 2-methyl-3-methylidene-6-[(4S)-4,10,13-trimethyl-3,7,11-trioxo-1,2,4,5,6,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]heptanoic acid, (4alpha,5alpha,25S)-4-Methyl-3,7,11-trioxoergosta-8,24(28)-dien-26-oic acid
| Molecular Formula | C29H40O5 |
|---|---|
| Molecular Weight | 468.29 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 88.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 468.28757 |
| Heavy Atoms | 34 |
| Complexity | 988.0 |
Chemical Identifiers
| CAS Number | 163597-25-9 |
|---|---|
| SMILES | C[C@H]1C2CC(=O)C3=C(C2(CCC1=O)C)C(=O)CC4(C3CCC4C(C)CCC(=C)C(C)C(=O)O)C |
| InChIKey | DVORYMAGXQGBQK-BQPMOXFZSA-N |
Product Overview
Antcin B (CAS 163597-25-9), with molecular formula C29H40O5 and molecular weight 468.29 g/mol. IUPAC: 2-methyl-3-methylidene-6-[(4S)-4,10,13-trimethyl-3,7,11-trioxo-1,2,4,5,6,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]heptanoic acid.
Chemical Property Profile of Antcin B
Property Insights of Antcin B
The XLogP value of 5.3 indicates that Antcin B is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Antcin B. Following Lipinski's Rule of Five, Antcin B has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Antcin B?
The CAS number of Antcin B is 163597-25-9.
What is the molecular formula of Antcin B?
The molecular formula of Antcin B is C29H40O5.
What is the molecular weight of Antcin B?
The molecular weight of Antcin B is 468.29 g/mol.
Where can I buy Antcin B?
You can request a quote for Antcin B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Antcin B?
Yes, KEHONG BIO provides custom synthesis services for Antcin B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.