(3S)-7-chloro-3-methyl-1,3,4,5-tetrahydro-1,4-benzodiazepin-2-one
TL;DR: (3S)-7-chloro-3-methyl-1,3,4,5-tetrahydro-1,4-benzodiazepin-2-one (CAS 26033-27-2) is a chemical compound with molecular formula C10H11ClN2O and molecular weight 210.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S)-7-chloro-3-methyl-1,3,4,5-tetrahydro-1,4-benzodiazepin-2-one
Also Known As: KST-1A3252, (3S)-7-chloro-3-methyl-1,3,4,5-tetrahydro-1,4-benzodiazepin-2-one, (3s)-7-chloro-3-methyl-1,3,4,5-tetrahydro-2h-1,4-benzodiazepin-2-one, (S)-7-Chloro-3-methyl-1,3,4,5-tetrahydro-1,4-benzodiazepin-2-one, 2H-1,4-Benzodiazepin-2-one,7-chloro-1,3,4,5-tetrahydro-3-methyl-, hydrochloride (1:1), (3S)-
| Molecular Formula | C10H11ClN2O |
|---|---|
| Molecular Weight | 210.06 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 41.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 210.05598 |
| Heavy Atoms | 14 |
| Complexity | 234.0 |
Chemical Identifiers
| CAS Number | 26033-27-2 |
|---|---|
| SMILES | C[C@H]1C(=O)NC2=C(CN1)C=C(C=C2)Cl |
| InChIKey | XBMZSWXMCUEZSW-LURJTMIESA-N |
Product Overview
(3S)-7-chloro-3-methyl-1,3,4,5-tetrahydro-1,4-benzodiazepin-2-one (CAS 26033-27-2), with molecular formula C10H11ClN2O and molecular weight 210.06 g/mol. IUPAC: (3S)-7-chloro-3-methyl-1,3,4,5-tetrahydro-1,4-benzodiazepin-2-one.
Chemical Property Profile of (3S)-7-chloro-3-methyl-1,3,4,5-tetrahydro-1,4-benzodiazepin-2-one
Property Insights of (3S)-7-chloro-3-methyl-1,3,4,5-tetrahydro-1,4-benzodiazepin-2-one
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3S)-7-chloro-3-methyl-1,3,4,5-tetrahydro-1,4-benzodiazepin-2-one. With a topological polar surface area (TPSA) of 41.1 Ų, (3S)-7-chloro-3-methyl-1,3,4,5-tetrahydro-1,4-benzodiazepin-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3S)-7-chloro-3-methyl-1,3,4,5-tetrahydro-1,4-benzodiazepin-2-one has 2 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 (3S)-7-chloro-3-methyl-1,3,4,5-tetrahydro-1,4-benzodiazepin-2-one?
The CAS number of (3S)-7-chloro-3-methyl-1,3,4,5-tetrahydro-1,4-benzodiazepin-2-one is 26033-27-2.
What is the molecular formula of (3S)-7-chloro-3-methyl-1,3,4,5-tetrahydro-1,4-benzodiazepin-2-one?
The molecular formula of (3S)-7-chloro-3-methyl-1,3,4,5-tetrahydro-1,4-benzodiazepin-2-one is C10H11ClN2O.
What is the molecular weight of (3S)-7-chloro-3-methyl-1,3,4,5-tetrahydro-1,4-benzodiazepin-2-one?
The molecular weight of (3S)-7-chloro-3-methyl-1,3,4,5-tetrahydro-1,4-benzodiazepin-2-one is 210.06 g/mol.
Where can I buy (3S)-7-chloro-3-methyl-1,3,4,5-tetrahydro-1,4-benzodiazepin-2-one?
You can request a quote for (3S)-7-chloro-3-methyl-1,3,4,5-tetrahydro-1,4-benzodiazepin-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3S)-7-chloro-3-methyl-1,3,4,5-tetrahydro-1,4-benzodiazepin-2-one?
Yes, KEHONG BIO provides custom synthesis services for (3S)-7-chloro-3-methyl-1,3,4,5-tetrahydro-1,4-benzodiazepin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.