ChemDiv1_023775
TL;DR: ChemDiv1_023775 (CAS 483968-07-6) is a chemical compound with molecular formula C18H14BrClN2O3 and molecular weight 419.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[7-bromo-5-(2-chlorophenyl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl] acetate
Also Known As: ChemDiv1_023775, AF-399/40653334, 7-Bromo-5-(2-chlorophenyl)-1-methyl-2-oxo-2,3-dihydro-1H-1,4-benzodiazepin-3-yl acetate, [7-bromo-5-(2-chlorophenyl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl] acetate, 7-Bromo-5-(2-chlorophenyl)-1-methyl-2-oxo-2,3-dihydro-1H-1,4-benzodiazepin-3-yl acetate #
| Molecular Formula | C18H14BrClN2O3 |
|---|---|
| Molecular Weight | 419.99 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 59.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 419.98764 |
| Heavy Atoms | 25 |
| Complexity | 571.0 |
Chemical Identifiers
| CAS Number | 483968-07-6 |
|---|---|
| SMILES | CC(=O)OC1C(=O)N(C2=C(C=C(C=C2)Br)C(=N1)C3=CC=CC=C3Cl)C |
| InChIKey | KQFNCAFJMKHPCH-UHFFFAOYSA-N |
Product Overview
ChemDiv1_023775 (CAS 483968-07-6), with molecular formula C18H14BrClN2O3 and molecular weight 419.99 g/mol. IUPAC: [7-bromo-5-(2-chlorophenyl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl] acetate.
Chemical Property Profile of ChemDiv1_023775
Property Insights of ChemDiv1_023775
The XLogP value of 3.1 indicates that ChemDiv1_023775 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.0 Ų, ChemDiv1_023775 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_023775 has 0 hydrogen bond donor(s) and 4 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 ChemDiv1_023775?
The CAS number of ChemDiv1_023775 is 483968-07-6.
What is the molecular formula of ChemDiv1_023775?
The molecular formula of ChemDiv1_023775 is C18H14BrClN2O3.
What is the molecular weight of ChemDiv1_023775?
The molecular weight of ChemDiv1_023775 is 419.99 g/mol.
Where can I buy ChemDiv1_023775?
You can request a quote for ChemDiv1_023775 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_023775?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_023775 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.