4-Methyl-2,3-dihydro-1H-1,5-benzodiazepin-2-one
TL;DR: 4-Methyl-2,3-dihydro-1H-1,5-benzodiazepin-2-one (CAS 6276-48-8) is a chemical compound with molecular formula C10H10N2O and molecular weight 174.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-1,3-dihydro-1,5-benzodiazepin-2-one
Also Known As: Flibanserin Impurity 1, Flibanserin Impurity 3, Flibanserin Impurity 10, 1,3-Dihydro-4-methyl-2H-1,5-benzodiazepin-2-one, 4-methyl-1,3-dihydro-1,5-benzodiazepin-2-one
| Molecular Formula | C10H10N2O |
|---|---|
| Molecular Weight | 174.08 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 41.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 174.07932 |
| Heavy Atoms | 13 |
| Complexity | 247.0 |
Chemical Identifiers
| CAS Number | 6276-48-8 |
|---|---|
| SMILES | CC1=NC2=CC=CC=C2NC(=O)C1 |
| InChIKey | AFHSLLLKMSITIA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Methyl-2,3-dihydro-1H-1,5-benzodiazepin-2-one (CAS 6276-48-8), with molecular formula C10H10N2O and molecular weight 174.08 g/mol. IUPAC: 4-methyl-1,3-dihydro-1,5-benzodiazepin-2-one.
Chemical Property Profile of 4-Methyl-2,3-dihydro-1H-1,5-benzodiazepin-2-one
Property Insights of 4-Methyl-2,3-dihydro-1H-1,5-benzodiazepin-2-one
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methyl-2,3-dihydro-1H-1,5-benzodiazepin-2-one. With a topological polar surface area (TPSA) of 41.5 Ų, 4-Methyl-2,3-dihydro-1H-1,5-benzodiazepin-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methyl-2,3-dihydro-1H-1,5-benzodiazepin-2-one 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 4-Methyl-2,3-dihydro-1H-1,5-benzodiazepin-2-one?
The CAS number of 4-Methyl-2,3-dihydro-1H-1,5-benzodiazepin-2-one is 6276-48-8.
What is the molecular formula of 4-Methyl-2,3-dihydro-1H-1,5-benzodiazepin-2-one?
The molecular formula of 4-Methyl-2,3-dihydro-1H-1,5-benzodiazepin-2-one is C10H10N2O.
What is the molecular weight of 4-Methyl-2,3-dihydro-1H-1,5-benzodiazepin-2-one?
The molecular weight of 4-Methyl-2,3-dihydro-1H-1,5-benzodiazepin-2-one is 174.08 g/mol.
Where can I buy 4-Methyl-2,3-dihydro-1H-1,5-benzodiazepin-2-one?
You can request a quote for 4-Methyl-2,3-dihydro-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 4-Methyl-2,3-dihydro-1H-1,5-benzodiazepin-2-one?
Yes, KEHONG BIO provides custom synthesis services for 4-Methyl-2,3-dihydro-1H-1,5-benzodiazepin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.