苯甲孕酮
TL;DR: 苯甲孕酮 (CAS 24356-94-3) is a chemical compound with molecular formula C29H36O4 and molecular weight 448.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
苯甲孕酮
(2S,4R,8S,12S)-8-acetyl-6,9,13-trimethyl-6-phenyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icos-17-en-16-one
Also Known As: Neolutin, Deladroxone, Bovitrol, Droxone, Acetophenide
| Molecular Formula | C29H36O4 |
|---|---|
| Molecular Weight | 448.26 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 448.26135 |
| Heavy Atoms | 33 |
| Complexity | 901.0 |
Chemical Identifiers
| CAS Number | 24356-94-3 |
|---|---|
| SMILES | CC(=O)[C@@]12[C@@H](C[C@@H]3C1(CC[C@H]4C3CCC5=CC(=O)CCC45C)C)OC(O2)(C)C6=CC=CC=C6 |
| InChIKey | AHBKIEXBQNRDNL-JRLVXNONSA-N |
Product Overview
苯甲孕酮 (CAS 24356-94-3), with molecular formula C29H36O4 and molecular weight 448.26 g/mol. IUPAC: (2S,4R,8S,12S)-8-acetyl-6,9,13-trimethyl-6-phenyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icos-17-en-16-one.
Chemical Property Profile of 苯甲孕酮
Property Insights of 苯甲孕酮
The XLogP value of 4.6 indicates that 苯甲孕酮 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 苯甲孕酮 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 苯甲孕酮 has 0 hydrogen bond donor(s) and 4 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 苯甲孕酮?
The CAS number of 苯甲孕酮 is 24356-94-3.
What is the molecular formula of 苯甲孕酮?
The molecular formula of 苯甲孕酮 is C29H36O4.
What is the molecular weight of 苯甲孕酮?
The molecular weight of 苯甲孕酮 is 448.26 g/mol.
Where can I buy 苯甲孕酮?
You can request a quote for 苯甲孕酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 苯甲孕酮?
Yes, KEHONG BIO provides custom synthesis services for 苯甲孕酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.