7-Chloro-3-methyl-1,3,4,5-tetrahydro-1,4-benzodiazepin-2-one
TL;DR: 7-Chloro-3-methyl-1,3,4,5-tetrahydro-1,4-benzodiazepin-2-one (CAS 163629-04-7) is a chemical compound with molecular formula C10H11ClN2O and molecular weight 210.05598 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7-chloro-3-methyl-1,3,4,5-tetrahydro-1,4-benzodiazepin-2-one
Also Known As: 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-, 7-chloro-3-methyl-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-
Technical Specifications
| Molecular Formula | C10H11ClN2O |
| Molecular Weight | 210.05598 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 41.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 210.05598 Da |
| Heavy Atoms | 14 |
| Complexity | 234.0 |
| SMILES | CC1C(=O)NC2=C(CN1)C=C(C=C2)Cl |
| InChIKey | XBMZSWXMCUEZSW-UHFFFAOYSA-N |
Chemical Property Profile of 7-Chloro-3-methyl-1,3,4,5-tetrahydro-1,4-benzodiazepin-2-one
Property Insights of 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 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, 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, 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
What is the CAS number of 7-Chloro-3-methyl-1,3,4,5-tetrahydro-1,4-benzodiazepin-2-one?
The CAS number of 7-Chloro-3-methyl-1,3,4,5-tetrahydro-1,4-benzodiazepin-2-one is 163629-04-7.
What is the molecular formula of 7-Chloro-3-methyl-1,3,4,5-tetrahydro-1,4-benzodiazepin-2-one?
The molecular formula of 7-Chloro-3-methyl-1,3,4,5-tetrahydro-1,4-benzodiazepin-2-one is C10H11ClN2O.
What is the molecular weight of 7-Chloro-3-methyl-1,3,4,5-tetrahydro-1,4-benzodiazepin-2-one?
The molecular weight of 7-Chloro-3-methyl-1,3,4,5-tetrahydro-1,4-benzodiazepin-2-one is 210.05598 g/mol.
Where can I buy 7-Chloro-3-methyl-1,3,4,5-tetrahydro-1,4-benzodiazepin-2-one?
You can request a quote for 7-Chloro-3-methyl-1,3,4,5-tetrahydro-1,4-benzodiazepin-2-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 7-Chloro-3-methyl-1,3,4,5-tetrahydro-1,4-benzodiazepin-2-one?
Yes, CoreyChem provides custom synthesis services for 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.