(4S)-4-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-one
TL;DR: (4S)-4-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-one (CAS 887757-04-2) is a chemical compound with molecular formula C10H12N2O and molecular weight 176.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-methyl-1,2,3,5-tetrahydro-1,5-benzodiazepin-4-one
Also Known As: (4s)-4-methyl-1,3,4,5-tetrahydro-2h-1,5-benzodiazepin-2-one, 4-Methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one, (4S)-4-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-one, (2S)-2-methyl-1,2,3,5-tetrahydro-1,5-benzodiazepin-4-one, 4alpha-Methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one
| Molecular Formula | C10H12N2O |
|---|---|
| Molecular Weight | 176.09 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 41.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 176.09496 |
| Heavy Atoms | 13 |
| Complexity | 205.0 |
Chemical Identifiers
| CAS Number | 887757-04-2 |
|---|---|
| SMILES | C[C@H]1CC(=O)NC2=CC=CC=C2N1 |
| InChIKey | BBPWQLMHOSRDMA-ZETCQYMHSA-N |
Product Overview
(4S)-4-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-one (CAS 887757-04-2), with molecular formula C10H12N2O and molecular weight 176.09 g/mol. IUPAC: (2S)-2-methyl-1,2,3,5-tetrahydro-1,5-benzodiazepin-4-one.
Chemical Property Profile of (4S)-4-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-one
Property Insights of (4S)-4-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-one
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4S)-4-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-one. With a topological polar surface area (TPSA) of 41.1 Ų, (4S)-4-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4S)-4-methyl-2,3,4,5-tetrahydro-1H-1,5-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 (4S)-4-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-one?
The CAS number of (4S)-4-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-one is 887757-04-2.
What is the molecular formula of (4S)-4-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-one?
The molecular formula of (4S)-4-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-one is C10H12N2O.
What is the molecular weight of (4S)-4-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-one?
The molecular weight of (4S)-4-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-one is 176.09 g/mol.
Where can I buy (4S)-4-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-one?
You can request a quote for (4S)-4-methyl-2,3,4,5-tetrahydro-1H-1,5-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 (4S)-4-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-one?
Yes, KEHONG BIO provides custom synthesis services for (4S)-4-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.