异炔诺酮
TL;DR: 异炔诺酮 (CAS 8015-30-3) is a chemical compound with molecular formula C41H52O4 and molecular weight 608.39 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
异炔诺酮
(8R,9S,13S,14S,17R)-17-ethynyl-17-hydroxy-13-methyl-1,2,4,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one;(8R,9S,13S,14S,17R)-17-ethynyl-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol
Also Known As: Infecundin, Enovid, Enovid-E, Sesquelan, Sequelan
| Molecular Formula | C41H52O4 |
|---|---|
| Molecular Weight | 608.39 g/mol |
| LogP | 7.55 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 608.38654 |
| Heavy Atoms | 45 |
| Complexity | 1130.0 |
Chemical Identifiers
| CAS Number | 8015-30-3 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=C3CCC(=O)C4.C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=C3C=CC(=C4)OC |
| InChIKey | YEXIOUZEXADMJW-HHWOBMLOSA-N |
Product Overview
异炔诺酮 (CAS 8015-30-3), with molecular formula C41H52O4 and molecular weight 608.39 g/mol. IUPAC: (8R,9S,13S,14S,17R)-17-ethynyl-17-hydroxy-13-methyl-1,2,4,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one;(8R,9S,13S,14S,17R)-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 异炔诺酮
Property Insights of 异炔诺酮
The XLogP value of 7.55 indicates that 异炔诺酮 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 异炔诺酮. Following Lipinski's Rule of Five, 异炔诺酮 has 2 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 异炔诺酮?
The CAS number of 异炔诺酮 is 8015-30-3.
What is the molecular formula of 异炔诺酮?
The molecular formula of 异炔诺酮 is C41H52O4.
What is the molecular weight of 异炔诺酮?
The molecular weight of 异炔诺酮 is 608.39 g/mol.
Where can I buy 异炔诺酮?
You can request a quote for 异炔诺酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 异炔诺酮?
Yes, KEHONG BIO provides custom synthesis services for 异炔诺酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.