Andrastin A
TL;DR: Andrastin A (CAS 174232-42-9) is a chemical compound with molecular formula C28H38O7 and molecular weight 486.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (9S,10R,13S)-3-acetyloxy-10-formyl-4,4,8,12,13,16-hexamethyl-15,17-dioxo-2,3,5,6,7,9-hexahydro-1H-cyclopenta[a]phenanthrene-14-carboxylate
Also Known As: Andrastin A, Methyl 3-(acetyloxy)-4,4,8,12,16-pentamethyl-15,17,19-trioxoandrost-11-ene-14-carboxylate, methyl (9S,10R,13S)-3-acetyloxy-10-formyl-4,4,8,12,13,16-hexamethyl-15,17-dioxo-2,3,5,6,7,9-hexahydro-1H-cyclopenta[a]phenanthrene-14-carboxylate, methyl (9S,10R,13S)-3-acetoxy-10-formyl-4,4,8,12,13,16-hexamethyl-15,17-dioxo-2,3,5,6,7,9-hexahydro-1H-cyclopenta[a]phenanthrene-14-carboxylate
| Molecular Formula | C28H38O7 |
|---|---|
| Molecular Weight | 486.26 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 486.26175 |
| Heavy Atoms | 35 |
| Complexity | 1060.0 |
Chemical Identifiers
| CAS Number | 174232-42-9 |
|---|---|
| SMILES | CC1C(=O)[C@]2(C(=C[C@@H]3[C@]4(CCC(C(C4CCC3(C2(C1=O)C(=O)OC)C)(C)C)OC(=O)C)C=O)C)C |
| InChIKey | GRBXNADBNJGZRK-BCMOVVIDSA-N |
Product Overview
Andrastin A (CAS 174232-42-9), with molecular formula C28H38O7 and molecular weight 486.26 g/mol. IUPAC: methyl (9S,10R,13S)-3-acetyloxy-10-formyl-4,4,8,12,13,16-hexamethyl-15,17-dioxo-2,3,5,6,7,9-hexahydro-1H-cyclopenta[a]phenanthrene-14-carboxylate.
Chemical Property Profile of Andrastin A
Property Insights of Andrastin A
The XLogP value of 3.8 indicates that Andrastin A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Andrastin A. Following Lipinski's Rule of Five, Andrastin A has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Andrastin A?
The CAS number of Andrastin A is 174232-42-9.
What is the molecular formula of Andrastin A?
The molecular formula of Andrastin A is C28H38O7.
What is the molecular weight of Andrastin A?
The molecular weight of Andrastin A is 486.26 g/mol.
Where can I buy Andrastin A?
You can request a quote for Andrastin A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Andrastin A?
Yes, KEHONG BIO provides custom synthesis services for Andrastin A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.