ChemDiv3_001013
TL;DR: ChemDiv3_001013 (CAS 119935-36-3) is a chemical compound with molecular formula C23H20BrClN2O3 and molecular weight 486.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[[5-bromo-2-[(2-chlorobenzoyl)amino]phenyl]-phenylmethyl]amino]acetate
Also Known As: ChemDiv3_001013, Methyl N-(2-(O-chlorobenzamido)-5-bromobenzhydryl)-glycine, IDI1_019979, BAS 00462507, AB00093585-01
| Molecular Formula | C23H20BrClN2O3 |
|---|---|
| Molecular Weight | 486.03 g/mol |
| LogP | 5.2068 |
| Topological Polar Surface Area | 67.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 486.03458 |
| Heavy Atoms | 30 |
| Complexity | 1043.628 |
Chemical Identifiers
| CAS Number | 119935-36-3 |
|---|---|
| SMILES | COC(=O)CNC(C1=CC=CC=C1)C2=C(C=CC(=C2)Br)NC(=O)C3=CC=CC=C3Cl |
Product Overview
ChemDiv3_001013 (CAS 119935-36-3), with molecular formula C23H20BrClN2O3 and molecular weight 486.03 g/mol. IUPAC: methyl 2-[[[5-bromo-2-[(2-chlorobenzoyl)amino]phenyl]-phenylmethyl]amino]acetate.
Chemical Property Profile of ChemDiv3_001013
Property Insights of ChemDiv3_001013
The XLogP value of 5.2068 indicates that ChemDiv3_001013 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.43 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_001013. Following Lipinski's Rule of Five, ChemDiv3_001013 has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv3_001013?
The CAS number of ChemDiv3_001013 is 119935-36-3.
What is the molecular formula of ChemDiv3_001013?
The molecular formula of ChemDiv3_001013 is C23H20BrClN2O3.
What is the molecular weight of ChemDiv3_001013?
The molecular weight of ChemDiv3_001013 is 486.03 g/mol.
Where can I buy ChemDiv3_001013?
You can request a quote for ChemDiv3_001013 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_001013?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_001013 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.