Levonorgestrel 4beta,5-oxide
TL;DR: Levonorgestrel 4beta,5-oxide (CAS 51267-65-3) is a chemical compound with molecular formula C21H28O3 and molecular weight 328.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,2R,6S,8R,11R,12S)-16-ethyl-15-ethynyl-15-hydroxy-7-oxapentacyclo[9.7.0.02,8.06,8.012,16]octadecan-5-one
Also Known As: Levonorgestrel 4beta,5-oxide, Levonorgestrel-4beta,5-oxide, (4beta,5beta,17alpha)-(+-)-4,5-Epoxy-13-ethyl-17-hydroxy-18,19-dinorpregn-20-yn-3-one, 18,19-Dinorpregn-20-yn-3-one, 4,5-epoxy-13-ethyl-17-hydroxy-, (4beta,5beta,17alpha)-, 18,19-Dinorpregn-20-yn-3-one, 4,5-epoxy-13-ethyl-17-hydroxy-, (4beta,5beta,17alpha)- (+-)-
| Molecular Formula | C21H28O3 |
|---|---|
| Molecular Weight | 328.20 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 328.20386 |
| Heavy Atoms | 24 |
| Complexity | 647.0 |
Chemical Identifiers
| CAS Number | 51267-65-3 |
|---|---|
| SMILES | CCC12CC[C@H]3[C@H]([C@@H]1CCC2(C#C)O)CC[C@@]45[C@@H]3CCC(=O)[C@H]4O5 |
| InChIKey | QAADEDKZKKRMIM-UPNZZDETSA-N |
Product Overview
Levonorgestrel 4beta,5-oxide (CAS 51267-65-3), with molecular formula C21H28O3 and molecular weight 328.20 g/mol. IUPAC: (1S,2R,6S,8R,11R,12S)-16-ethyl-15-ethynyl-15-hydroxy-7-oxapentacyclo[9.7.0.02,8.06,8.012,16]octadecan-5-one.
Chemical Property Profile of Levonorgestrel 4beta,5-oxide
Property Insights of Levonorgestrel 4beta,5-oxide
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Levonorgestrel 4beta,5-oxide. With a topological polar surface area (TPSA) of 49.8 Ų, Levonorgestrel 4beta,5-oxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Levonorgestrel 4beta,5-oxide has 1 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 Levonorgestrel 4beta,5-oxide?
The CAS number of Levonorgestrel 4beta,5-oxide is 51267-65-3.
What is the molecular formula of Levonorgestrel 4beta,5-oxide?
The molecular formula of Levonorgestrel 4beta,5-oxide is C21H28O3.
What is the molecular weight of Levonorgestrel 4beta,5-oxide?
The molecular weight of Levonorgestrel 4beta,5-oxide is 328.20 g/mol.
Where can I buy Levonorgestrel 4beta,5-oxide?
You can request a quote for Levonorgestrel 4beta,5-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Levonorgestrel 4beta,5-oxide?
Yes, KEHONG BIO provides custom synthesis services for Levonorgestrel 4beta,5-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.