Loestrin
TL;DR: Loestrin (CAS 8015-12-1) is a chemical compound with molecular formula C42H52O5 and molecular weight 636.38 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(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;[(8R,9S,10R,13S,14S,17R)-17-ethynyl-13-methyl-3-oxo-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate
Also Known As: Norlestrin, Controvlar, Loestrin, Microgestin, Trentovlane
| Molecular Formula | C42H52O5 |
|---|---|
| Molecular Weight | 636.38 g/mol |
| LogP | 7.68 |
| Topological Polar Surface Area | 83.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 636.3815 |
| Heavy Atoms | 47 |
| Complexity | 1200.0 |
Chemical Identifiers
| CAS Number | 8015-12-1 |
|---|---|
| SMILES | CC(=O)O[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@H]34)C)C#C.C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=C3C=CC(=C4)O |
| InChIKey | GEONECATAKDDLT-JDSZYESASA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Loestrin (CAS 8015-12-1), with molecular formula C42H52O5 and molecular weight 636.38 g/mol. IUPAC: (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;[(8R,9S,10R,13S,14S,17R)-17-ethynyl-13-methyl-3-oxo-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate.
Chemical Property Profile of Loestrin
Property Insights of Loestrin
The XLogP value of 7.68 indicates that Loestrin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Loestrin. Following Lipinski's Rule of Five, Loestrin has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Loestrin?
The CAS number of Loestrin is 8015-12-1.
What is the molecular formula of Loestrin?
The molecular formula of Loestrin is C42H52O5.
What is the molecular weight of Loestrin?
The molecular weight of Loestrin is 636.38 g/mol.
Where can I buy Loestrin?
You can request a quote for Loestrin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Loestrin?
Yes, KEHONG BIO provides custom synthesis services for Loestrin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.