Mecygepron
TL;DR: Mecygepron (CAS 77209-23-5) is a chemical compound with molecular formula C47H64O4 and molecular weight 692.48 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4bS,6aS,6bS,10aR,11aS,11bR,13S)-6a,13-dimethyl-6b-(2-oxopropyl)-3,4,4a,4b,5,6,7,8,9,10,10a,11,11a,11b,12,13-hexadecahydroindeno[2,1-a]phenanthren-2-one;(8R,9S,13S,14S)-17-ethynyl-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol
Also Known As: Mecygepron, 6-Mcped, Mestranol mixture with mecigestone, 6alpha-Methyl-16alpha,17alpha-cyclohexylpregn-4-en-3,20-dione, (4bS,6aS,6bS,10aR,11aS,11bR,13S)-6a,13-Dimethyl-6b-(2-oxopropyl)-3,4,4a,4b,5,6,6a,6b,7,8,9,10,10a,11,11a,11b,12,13-octadecahydro-2H-indeno[2,1-a]phenanthren-2-one--(17xi)-3-methoxy-19-norpregna-1(10),2,4-trien-20-yn-17-ol (1/1)
| Molecular Formula | C47H64O4 |
|---|---|
| Molecular Weight | 692.48 g/mol |
| LogP | 10.0554 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 692.48047 |
| Heavy Atoms | 51 |
| Complexity | 1240.0 |
Chemical Identifiers
| CAS Number | 77209-23-5 |
|---|---|
| SMILES | C[C@H]1C[C@@H]2[C@H](CC[C@]3([C@H]2C[C@@H]4[C@]3(CCCC4)CC(=O)C)C)C5C1=CC(=O)CC5.C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2(C#C)O)CCC4=C3C=CC(=C4)OC |
| InChIKey | ABYVFHQLUPAYMS-ALAJMMIDSA-N |
Product Overview
Mecygepron (CAS 77209-23-5), with molecular formula C47H64O4 and molecular weight 692.48 g/mol. IUPAC: (4bS,6aS,6bS,10aR,11aS,11bR,13S)-6a,13-dimethyl-6b-(2-oxopropyl)-3,4,4a,4b,5,6,7,8,9,10,10a,11,11a,11b,12,13-hexadecahydroindeno[2,1-a]phenanthren-2-one;(8R,9S,13S,14S)-17-ethynyl-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol.
Chemical Property Profile of Mecygepron
Property Insights of Mecygepron
The XLogP value of 10.0554 indicates that Mecygepron is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Mecygepron. Following Lipinski's Rule of Five, Mecygepron has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Mecygepron?
The CAS number of Mecygepron is 77209-23-5.
What is the molecular formula of Mecygepron?
The molecular formula of Mecygepron is C47H64O4.
What is the molecular weight of Mecygepron?
The molecular weight of Mecygepron is 692.48 g/mol.
Where can I buy Mecygepron?
You can request a quote for Mecygepron directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Mecygepron?
Yes, KEHONG BIO provides custom synthesis services for Mecygepron and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.