Marthasterone
TL;DR: Marthasterone (CAS 41287-14-3) is a chemical compound with molecular formula C27H42O3 and molecular weight 414.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6R)-6-[(3S,5S,6S,8S,10S,13R,14S,17R)-3,6-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylhept-2-en-4-one
Also Known As: Marthasterone, Carbonic acid,dinonyl ester, 3,6-Dihydroxycholesta-9(11),24-dien-23-one, 3beta,6alpha-dihydroxy-5alpha-cholesta-9(11),24-dien-23-one, 3-
| Molecular Formula | C27H42O3 |
|---|---|
| Molecular Weight | 414.31 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 414.3134 |
| Heavy Atoms | 30 |
| Complexity | 747.0 |
Chemical Identifiers
| CAS Number | 41287-14-3 |
|---|---|
| SMILES | C[C@H](CC(=O)C=C(C)C)[C@H]1CC[C@@H]2[C@@]1(CC=C3[C@H]2C[C@@H]([C@@H]4[C@@]3(CC[C@@H](C4)O)C)O)C |
| InChIKey | JMTGPYQQNHOZAL-GNGILNPGSA-N |
Product Overview
Marthasterone (CAS 41287-14-3), with molecular formula C27H42O3 and molecular weight 414.31 g/mol. IUPAC: (6R)-6-[(3S,5S,6S,8S,10S,13R,14S,17R)-3,6-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylhept-2-en-4-one.
Chemical Property Profile of Marthasterone
Property Insights of Marthasterone
The XLogP value of 5.2 indicates that Marthasterone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.5 Ų, Marthasterone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Marthasterone has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Marthasterone?
The CAS number of Marthasterone is 41287-14-3.
What is the molecular formula of Marthasterone?
The molecular formula of Marthasterone is C27H42O3.
What is the molecular weight of Marthasterone?
The molecular weight of Marthasterone is 414.31 g/mol.
Where can I buy Marthasterone?
You can request a quote for Marthasterone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Marthasterone?
Yes, KEHONG BIO provides custom synthesis services for Marthasterone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.