Ethinyl estradiol; norgestrel
TL;DR: Ethinyl estradiol; norgestrel (CAS 39366-37-5) 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.
(8R,9S,10R,13S,14S,17R)-13-ethyl-17-ethynyl-17-hydroxy-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one;(8R,9S,13S,14S,17R)-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
Also Known As: Microgynon, Ovral, Trikvilar, Gynatrol, aviane
| Molecular Formula | C41H52O4 |
|---|---|
| Molecular Weight | 608.39 g/mol |
| LogP | 7.5 |
| Topological Polar Surface Area | 77.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 608.38654 |
| Heavy Atoms | 45 |
| Complexity | 1110.0 |
Chemical Identifiers
| CAS Number | 39366-37-5 |
|---|---|
| SMILES | CC[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=CC(=O)CC[C@H]34.C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=C3C=CC(=C4)O |
| InChIKey | ORKBYCQJWQBPFG-WOMZHKBXSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethinyl estradiol; norgestrel (CAS 39366-37-5), with molecular formula C41H52O4 and molecular weight 608.39 g/mol. IUPAC: (8R,9S,10R,13S,14S,17R)-13-ethyl-17-ethynyl-17-hydroxy-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one;(8R,9S,13S,14S,17R)-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol.
Chemical Property Profile of Ethinyl estradiol; norgestrel
Property Insights of Ethinyl estradiol; norgestrel
The XLogP value of 7.5 indicates that Ethinyl estradiol; norgestrel is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethinyl estradiol; norgestrel. Following Lipinski's Rule of Five, Ethinyl estradiol; norgestrel has 3 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 Ethinyl estradiol; norgestrel?
The CAS number of Ethinyl estradiol; norgestrel is 39366-37-5.
What is the molecular formula of Ethinyl estradiol; norgestrel?
The molecular formula of Ethinyl estradiol; norgestrel is C41H52O4.
What is the molecular weight of Ethinyl estradiol; norgestrel?
The molecular weight of Ethinyl estradiol; norgestrel is 608.39 g/mol.
Where can I buy Ethinyl estradiol; norgestrel?
You can request a quote for Ethinyl estradiol; norgestrel directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethinyl estradiol; norgestrel?
Yes, KEHONG BIO provides custom synthesis services for Ethinyl estradiol; norgestrel and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.