Norelgestromin
TL;DR: Norelgestromin (CAS 53016-31-2) is a chemical compound with molecular formula C21H29NO2 and molecular weight 327.22 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-3-hydroxyimino-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-ol
Also Known As: Norelgestromin, Levonorgestrel oxime, Norplant 3-oxime, Ortho Evra, 17-Deacetylnorgestimate
| Molecular Formula | C21H29NO2 |
|---|---|
| Molecular Weight | 327.22 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 52.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 327.21982 |
| Heavy Atoms | 24 |
| Complexity | 641.0 |
Chemical Identifiers
| CAS Number | 53016-31-2 |
|---|---|
| SMILES | CC[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=CC(=NO)CC[C@H]34 |
| InChIKey | ISHXLNHNDMZNMC-XUDSTZEESA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Norelgestromin (CAS 53016-31-2), with molecular formula C21H29NO2 and molecular weight 327.22 g/mol. IUPAC: (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-ol.
Chemical Property Profile of Norelgestromin
Property Insights of Norelgestromin
The XLogP value of 3.6 indicates that Norelgestromin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.8 Ų, Norelgestromin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Norelgestromin has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Norelgestromin?
The CAS number of Norelgestromin is 53016-31-2.
What is the molecular formula of Norelgestromin?
The molecular formula of Norelgestromin is C21H29NO2.
What is the molecular weight of Norelgestromin?
The molecular weight of Norelgestromin is 327.22 g/mol.
Where can I buy Norelgestromin?
You can request a quote for Norelgestromin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Norelgestromin?
Yes, KEHONG BIO provides custom synthesis services for Norelgestromin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.