7-Chloro-3-methyl-4-propyl-1,3,4,5-tetrahydro-2H-1,4-benzodiazepin-2-one
TL;DR: 7-Chloro-3-methyl-4-propyl-1,3,4,5-tetrahydro-2H-1,4-benzodiazepin-2-one (CAS 163629-05-8) is a chemical compound with molecular formula C13H17ClN2O and molecular weight 252.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-chloro-3-methyl-4-propyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one
Also Known As: 7-Chloro-3-methyl-4-propyl-1,3,4,5-tetrahydro-2H-1,4-benzodiazepin-2-one, 2H-1,4-Benzodiazepin-2-one, 7-chloro-1,3,4,5-tetrahydro-3-methyl-4-propyl-, 7-chloro-3-methyl-4-propyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one, 2H-1,4-Benzodiazepin-2-one,7-chloro-1,3,4,5-tetrahydro-3-methyl-4-propyl, 2H-1,4-Benzodiazepin-2-one,7-chloro-1,3,4,5-tetrahydro-3-methyl-4-propyl-
| Molecular Formula | C13H17ClN2O |
|---|---|
| Molecular Weight | 252.10 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 32.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 252.10294 |
| Heavy Atoms | 17 |
| Complexity | 285.0 |
Chemical Identifiers
| CAS Number | 163629-05-8 |
|---|---|
| SMILES | CCCN1CC2=C(C=CC(=C2)Cl)NC(=O)C1C |
| InChIKey | LUJARFXHNNQWRJ-UHFFFAOYSA-N |
Product Overview
7-Chloro-3-methyl-4-propyl-1,3,4,5-tetrahydro-2H-1,4-benzodiazepin-2-one (CAS 163629-05-8), with molecular formula C13H17ClN2O and molecular weight 252.10 g/mol. IUPAC: 7-chloro-3-methyl-4-propyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one.
Chemical Property Profile of 7-Chloro-3-methyl-4-propyl-1,3,4,5-tetrahydro-2H-1,4-benzodiazepin-2-one
Property Insights of 7-Chloro-3-methyl-4-propyl-1,3,4,5-tetrahydro-2H-1,4-benzodiazepin-2-one
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Chloro-3-methyl-4-propyl-1,3,4,5-tetrahydro-2H-1,4-benzodiazepin-2-one. With a topological polar surface area (TPSA) of 32.3 Ų, 7-Chloro-3-methyl-4-propyl-1,3,4,5-tetrahydro-2H-1,4-benzodiazepin-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-Chloro-3-methyl-4-propyl-1,3,4,5-tetrahydro-2H-1,4-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 7-Chloro-3-methyl-4-propyl-1,3,4,5-tetrahydro-2H-1,4-benzodiazepin-2-one?
The CAS number of 7-Chloro-3-methyl-4-propyl-1,3,4,5-tetrahydro-2H-1,4-benzodiazepin-2-one is 163629-05-8.
What is the molecular formula of 7-Chloro-3-methyl-4-propyl-1,3,4,5-tetrahydro-2H-1,4-benzodiazepin-2-one?
The molecular formula of 7-Chloro-3-methyl-4-propyl-1,3,4,5-tetrahydro-2H-1,4-benzodiazepin-2-one is C13H17ClN2O.
What is the molecular weight of 7-Chloro-3-methyl-4-propyl-1,3,4,5-tetrahydro-2H-1,4-benzodiazepin-2-one?
The molecular weight of 7-Chloro-3-methyl-4-propyl-1,3,4,5-tetrahydro-2H-1,4-benzodiazepin-2-one is 252.10 g/mol.
Where can I buy 7-Chloro-3-methyl-4-propyl-1,3,4,5-tetrahydro-2H-1,4-benzodiazepin-2-one?
You can request a quote for 7-Chloro-3-methyl-4-propyl-1,3,4,5-tetrahydro-2H-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-3-methyl-4-propyl-1,3,4,5-tetrahydro-2H-1,4-benzodiazepin-2-one?
Yes, KEHONG BIO provides custom synthesis services for 7-Chloro-3-methyl-4-propyl-1,3,4,5-tetrahydro-2H-1,4-benzodiazepin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.