5-(2-chloroacetyl)-4-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-one
TL;DR: 5-(2-chloroacetyl)-4-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-one (CAS 73416-91-8) is a chemical compound with molecular formula C12H13ClN2O2 and molecular weight 252.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(2-chloroacetyl)-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one
Also Known As: 5-(2-chloroacetyl)-4-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-one, 2H-1,5-Benzodiazepin-2-one, 5-(chloroacetyl)-1,3,4,5-tetrahydro-4-methyl-, 5-(2-chloroacetyl)-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one, 5-(chloroacetyl)-4-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one, 5-(2-chloroacetyl)-4-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one
| Molecular Formula | C12H13ClN2O2 |
|---|---|
| Molecular Weight | 252.07 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 49.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 252.06656 |
| Heavy Atoms | 17 |
| Complexity | 322.0 |
Chemical Identifiers
| CAS Number | 73416-91-8 |
|---|---|
| SMILES | CC1CC(=O)NC2=CC=CC=C2N1C(=O)CCl |
| InChIKey | YCPNAYAAEMIXMZ-UHFFFAOYSA-N |
Product Overview
5-(2-chloroacetyl)-4-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-one (CAS 73416-91-8), with molecular formula C12H13ClN2O2 and molecular weight 252.07 g/mol. IUPAC: 5-(2-chloroacetyl)-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one.
Chemical Property Profile of 5-(2-chloroacetyl)-4-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-one
Property Insights of 5-(2-chloroacetyl)-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 5-(2-chloroacetyl)-4-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-one. With a topological polar surface area (TPSA) of 49.4 Ų, 5-(2-chloroacetyl)-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, 5-(2-chloroacetyl)-4-methyl-2,3,4,5-tetrahydro-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 5-(2-chloroacetyl)-4-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-one?
The CAS number of 5-(2-chloroacetyl)-4-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-one is 73416-91-8.
What is the molecular formula of 5-(2-chloroacetyl)-4-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-one?
The molecular formula of 5-(2-chloroacetyl)-4-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-one is C12H13ClN2O2.
What is the molecular weight of 5-(2-chloroacetyl)-4-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-one?
The molecular weight of 5-(2-chloroacetyl)-4-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-one is 252.07 g/mol.
Where can I buy 5-(2-chloroacetyl)-4-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-one?
You can request a quote for 5-(2-chloroacetyl)-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 5-(2-chloroacetyl)-4-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-one?
Yes, KEHONG BIO provides custom synthesis services for 5-(2-chloroacetyl)-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.