ChemDiv3_014184
TL;DR: ChemDiv3_014184 (CAS 313254-95-4) is a chemical compound with molecular formula C22H21BrN2O4S and molecular weight 488.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[[5-bromo-2-[(4-methylphenyl)sulfonylamino]phenyl]-phenylmethyl]amino]acetic acid
Also Known As: ChemDiv3_014184, BAS 00462521, IDI1_029982, 2-({[5-bromo-2-(4-methylbenzenesulfonamido)phenyl](phenyl)methyl}amino)acetic acid, 2-(((5-bromo-2-(4-methylphenylsulfonamido)phenyl)(phenyl)methyl)amino)acetic acid
| Molecular Formula | C22H21BrN2O4S |
|---|---|
| Molecular Weight | 488.04 g/mol |
| LogP | 4.32192 |
| Topological Polar Surface Area | 95.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 488.04053 |
| Heavy Atoms | 30 |
| Complexity | 1133.559 |
Chemical Identifiers
| CAS Number | 313254-95-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=C(C=C2)Br)C(C3=CC=CC=C3)NCC(=O)O |
Product Overview
ChemDiv3_014184 (CAS 313254-95-4), with molecular formula C22H21BrN2O4S and molecular weight 488.04 g/mol. IUPAC: 2-[[[5-bromo-2-[(4-methylphenyl)sulfonylamino]phenyl]-phenylmethyl]amino]acetic acid.
Chemical Property Profile of ChemDiv3_014184
Property Insights of ChemDiv3_014184
The XLogP value of 4.32192 indicates that ChemDiv3_014184 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.5 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_014184. Following Lipinski's Rule of Five, ChemDiv3_014184 has 3 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 ChemDiv3_014184?
The CAS number of ChemDiv3_014184 is 313254-95-4.
What is the molecular formula of ChemDiv3_014184?
The molecular formula of ChemDiv3_014184 is C22H21BrN2O4S.
What is the molecular weight of ChemDiv3_014184?
The molecular weight of ChemDiv3_014184 is 488.04 g/mol.
Where can I buy ChemDiv3_014184?
You can request a quote for ChemDiv3_014184 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_014184?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_014184 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.