Norgestimate and Ethinyl Estradiol
TL;DR: Norgestimate and Ethinyl Estradiol (CAS 79871-54-8) is a chemical compound with molecular formula C43H55NO5 and molecular weight 665.41 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3E,8R,9S,10R,13S,14S,17R)-13-ethyl-17-ethynyl-3-hydroxyimino-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate;(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: Tricileste, Cilest, Tricilest, Previfem, Sprintec
| Molecular Formula | C43H55NO5 |
|---|---|
| Molecular Weight | 665.41 g/mol |
| LogP | 8.3271 |
| Topological Polar Surface Area | 99.35 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 665.408 |
| Heavy Atoms | 49 |
| Complexity | 1630.7671 |
Chemical Identifiers
| CAS Number | 79871-54-8 |
|---|---|
| SMILES | CC[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)OC(=O)C)CCC4=C/C(=N/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 |
Product Overview
Norgestimate and Ethinyl Estradiol (CAS 79871-54-8), with molecular formula C43H55NO5 and molecular weight 665.41 g/mol. IUPAC: [(3E,8R,9S,10R,13S,14S,17R)-13-ethyl-17-ethynyl-3-hydroxyimino-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate;(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 Norgestimate and Ethinyl Estradiol
Property Insights of Norgestimate and Ethinyl Estradiol
The XLogP value of 8.3271 indicates that Norgestimate and Ethinyl Estradiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.35 Ų falls within the moderate polarity range, balancing permeability and solubility for Norgestimate and Ethinyl Estradiol. Following Lipinski's Rule of Five, Norgestimate and Ethinyl Estradiol has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Norgestimate and Ethinyl Estradiol?
The CAS number of Norgestimate and Ethinyl Estradiol is 79871-54-8.
What is the molecular formula of Norgestimate and Ethinyl Estradiol?
The molecular formula of Norgestimate and Ethinyl Estradiol is C43H55NO5.
What is the molecular weight of Norgestimate and Ethinyl Estradiol?
The molecular weight of Norgestimate and Ethinyl Estradiol is 665.41 g/mol.
Where can I buy Norgestimate and Ethinyl Estradiol?
You can request a quote for Norgestimate and Ethinyl Estradiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Norgestimate and Ethinyl Estradiol?
Yes, KEHONG BIO provides custom synthesis services for Norgestimate and Ethinyl Estradiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.