7-chloro-1-methyl-5-pyridin-2-yl-3H-1,4-benzodiazepin-2-one
TL;DR: 7-chloro-1-methyl-5-pyridin-2-yl-3H-1,4-benzodiazepin-2-one (CAS 31542-63-9) is a chemical compound with molecular formula C15H12ClN3O and molecular weight 285.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-chloro-1-methyl-5-pyridin-2-yl-3H-1,4-benzodiazepin-2-one
Also Known As: 2.5-Dichlor-chinon-dichlordiimid, 7-chloro-1-methyl-5-pyridin-2-yl-3H-1,4-benzodiazepin-2-one, 7-chloro-1-methyl-5-(pyridin-2-yl)-1,3-dihydro-2h-1,4-benzodiazepin-2-one, 2H-1,4-Benzodiazepin-2-one,7-chloro-1,3-dihydro-1-methyl-5-(2-pyridinyl)-
| Molecular Formula | C15H12ClN3O |
|---|---|
| Molecular Weight | 285.07 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 45.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 285.0669 |
| Heavy Atoms | 20 |
| Complexity | 412.0 |
Chemical Identifiers
| CAS Number | 31542-63-9 |
|---|---|
| SMILES | CN1C(=O)CN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=N3 |
| InChIKey | QCMFREVUWIVCFC-UHFFFAOYSA-N |
Product Overview
7-chloro-1-methyl-5-pyridin-2-yl-3H-1,4-benzodiazepin-2-one (CAS 31542-63-9), with molecular formula C15H12ClN3O and molecular weight 285.07 g/mol. IUPAC: 7-chloro-1-methyl-5-pyridin-2-yl-3H-1,4-benzodiazepin-2-one.
Chemical Property Profile of 7-chloro-1-methyl-5-pyridin-2-yl-3H-1,4-benzodiazepin-2-one
Property Insights of 7-chloro-1-methyl-5-pyridin-2-yl-3H-1,4-benzodiazepin-2-one
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-chloro-1-methyl-5-pyridin-2-yl-3H-1,4-benzodiazepin-2-one. With a topological polar surface area (TPSA) of 45.6 Ų, 7-chloro-1-methyl-5-pyridin-2-yl-3H-1,4-benzodiazepin-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-chloro-1-methyl-5-pyridin-2-yl-3H-1,4-benzodiazepin-2-one has 0 hydrogen bond donor(s) and 3 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 7-chloro-1-methyl-5-pyridin-2-yl-3H-1,4-benzodiazepin-2-one?
The CAS number of 7-chloro-1-methyl-5-pyridin-2-yl-3H-1,4-benzodiazepin-2-one is 31542-63-9.
What is the molecular formula of 7-chloro-1-methyl-5-pyridin-2-yl-3H-1,4-benzodiazepin-2-one?
The molecular formula of 7-chloro-1-methyl-5-pyridin-2-yl-3H-1,4-benzodiazepin-2-one is C15H12ClN3O.
What is the molecular weight of 7-chloro-1-methyl-5-pyridin-2-yl-3H-1,4-benzodiazepin-2-one?
The molecular weight of 7-chloro-1-methyl-5-pyridin-2-yl-3H-1,4-benzodiazepin-2-one is 285.07 g/mol.
Where can I buy 7-chloro-1-methyl-5-pyridin-2-yl-3H-1,4-benzodiazepin-2-one?
You can request a quote for 7-chloro-1-methyl-5-pyridin-2-yl-3H-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 7-chloro-1-methyl-5-pyridin-2-yl-3H-1,4-benzodiazepin-2-one?
Yes, KEHONG BIO provides custom synthesis services for 7-chloro-1-methyl-5-pyridin-2-yl-3H-1,4-benzodiazepin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.