Cymipristone
TL;DR: Cymipristone (CAS 329971-40-6) is a chemical compound with molecular formula C34H43NO2 and molecular weight 497.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8S,11R,13S,14S,17S)-11-[4-[cyclohexyl(methyl)amino]phenyl]-17-hydroxy-13-methyl-17-prop-1-ynyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
Also Known As: Cymipristone, (8S,11R,13S,14S,17S)-11-(4-(Cyclohexyl(methyl)amino)phenyl)-17-hydroxy-13-methyl-17-(prop-1-yn-1-yl)-1,2,6,7,8,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta(a)phenanthren-3-one, (8S,11R,13S,14S,17S)-11-[4-[cyclohexyl(methyl)amino]phenyl]-17-hydroxy-13-methyl-17-prop-1-ynyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one, (8S,11R,13S,14S,17S)-11-(4-(cyclohexyl(methyl)amino)phenyl)-17-hydroxy-13-methyl-17-(prop-1-yn-1-yl)-1,2,6,7,8,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-3-one, RefChem:919474
| Molecular Formula | C34H43NO2 |
|---|---|
| Molecular Weight | 497.33 g/mol |
| LogP | 7.1094 |
| Topological Polar Surface Area | 40.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 497.32938 |
| Heavy Atoms | 37 |
| Complexity | 1190.4087 |
Chemical Identifiers
| CAS Number | 329971-40-6 |
|---|---|
| SMILES | CC#C[C@@]1(CC[C@@H]2[C@@]1(C[C@@H](C3=C4CCC(=O)C=C4CC[C@@H]23)C5=CC=C(C=C5)N(C)C6CCCCC6)C)O |
Product Overview
Cymipristone (CAS 329971-40-6), with molecular formula C34H43NO2 and molecular weight 497.33 g/mol. IUPAC: (8S,11R,13S,14S,17S)-11-[4-[cyclohexyl(methyl)amino]phenyl]-17-hydroxy-13-methyl-17-prop-1-ynyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one.
Chemical Property Profile of Cymipristone
Property Insights of Cymipristone
The XLogP value of 7.1094 indicates that Cymipristone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.54 Ų, Cymipristone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cymipristone has 1 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 Cymipristone?
The CAS number of Cymipristone is 329971-40-6.
What is the molecular formula of Cymipristone?
The molecular formula of Cymipristone is C34H43NO2.
What is the molecular weight of Cymipristone?
The molecular weight of Cymipristone is 497.33 g/mol.
Where can I buy Cymipristone?
You can request a quote for Cymipristone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cymipristone?
Yes, KEHONG BIO provides custom synthesis services for Cymipristone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.