(S)-3-Methyldesmethyldiazepam
TL;DR: (S)-3-Methyldesmethyldiazepam (CAS 39200-48-1) is a chemical compound with molecular formula C16H13ClN2O and molecular weight 284.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S)-7-chloro-3-methyl-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
Also Known As: (S)-3-Methyldesmethyldiazepam, 3-Methyldesmethyldiazepam, (S)-, 2H-1,4-BENZODIAZEPIN-2-ONE, 1,3-DIHYDRO-7-CHLORO-3-METHYL-5-PHENYL-, (S)-, (S)-1,3-Dihydro-7-chloro-3-methyl-5-phenyl-2H-1,4-benzodiazepin-2-one, (3S)-3-Methyl-5-phenyl-7-chloro-1H-1,4-benzodiazepine-2(3H)-one
| Molecular Formula | C16H13ClN2O |
|---|---|
| Molecular Weight | 284.07 g/mol |
| LogP | 3.518 |
| Topological Polar Surface Area | 41.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 284.07166 |
| Heavy Atoms | 20 |
| Complexity | 694.878 |
Chemical Identifiers
| CAS Number | 39200-48-1 |
|---|---|
| SMILES | C[C@H]1C(=O)NC2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3 |
Product Overview
(S)-3-Methyldesmethyldiazepam (CAS 39200-48-1), with molecular formula C16H13ClN2O and molecular weight 284.07 g/mol. IUPAC: (3S)-7-chloro-3-methyl-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one.
Chemical Property Profile of (S)-3-Methyldesmethyldiazepam
Property Insights of (S)-3-Methyldesmethyldiazepam
The XLogP value of 3.518 indicates that (S)-3-Methyldesmethyldiazepam is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.46 Ų, (S)-3-Methyldesmethyldiazepam exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (S)-3-Methyldesmethyldiazepam has 1 hydrogen bond donor(s) and 2 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 (S)-3-Methyldesmethyldiazepam?
The CAS number of (S)-3-Methyldesmethyldiazepam is 39200-48-1.
What is the molecular formula of (S)-3-Methyldesmethyldiazepam?
The molecular formula of (S)-3-Methyldesmethyldiazepam is C16H13ClN2O.
What is the molecular weight of (S)-3-Methyldesmethyldiazepam?
The molecular weight of (S)-3-Methyldesmethyldiazepam is 284.07 g/mol.
Where can I buy (S)-3-Methyldesmethyldiazepam?
You can request a quote for (S)-3-Methyldesmethyldiazepam directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-3-Methyldesmethyldiazepam?
Yes, KEHONG BIO provides custom synthesis services for (S)-3-Methyldesmethyldiazepam and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.