BAS 00462519
TL;DR: BAS 00462519 (CAS 313262-73-6) is a chemical compound with molecular formula C23H22BrClN2O4S and molecular weight 536.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[[5-bromo-2-[(4-methylphenyl)sulfonylamino]phenyl]-(2-chlorophenyl)methyl]amino]acetate
Also Known As: BAS 00462519, methyl 2-(((5-bromo-2-(4-methylphenylsulfonamido)phenyl)(2-chlorophenyl)methyl)amino)acetate, N-[[5-Bromo-2-[[(4-methylphenyl)sulfonyl]amino]phenyl](2-chlorophenyl)methyl]glycine methyl ester, {[[5-Bromo-2-(toluene-4-sulfonylamino)-phenyl]-(2-chloro-phenyl)-methyl]-amino}-acetic acid methyl ester, METHYL 2-({[5-BROMO-2-(4-METHYLBENZENESULFONAMIDO)PHENYL](2-CHLOROPHENYL)METHYL}AMINO)ACETATE
| Molecular Formula | C23H22BrClN2O4S |
|---|---|
| Molecular Weight | 536.02 g/mol |
| LogP | 5.06372 |
| Topological Polar Surface Area | 84.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 536.0172 |
| Heavy Atoms | 32 |
| Complexity | 1216.921 |
Chemical Identifiers
| CAS Number | 313262-73-6 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=C(C=C2)Br)C(C3=CC=CC=C3Cl)NCC(=O)OC |
Product Overview
BAS 00462519 (CAS 313262-73-6), with molecular formula C23H22BrClN2O4S and molecular weight 536.02 g/mol. IUPAC: methyl 2-[[[5-bromo-2-[(4-methylphenyl)sulfonylamino]phenyl]-(2-chlorophenyl)methyl]amino]acetate.
Chemical Property Profile of BAS 00462519
Property Insights of BAS 00462519
The XLogP value of 5.06372 indicates that BAS 00462519 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.5 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00462519. Following Lipinski's Rule of Five, BAS 00462519 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00462519?
The CAS number of BAS 00462519 is 313262-73-6.
What is the molecular formula of BAS 00462519?
The molecular formula of BAS 00462519 is C23H22BrClN2O4S.
What is the molecular weight of BAS 00462519?
The molecular weight of BAS 00462519 is 536.02 g/mol.
Where can I buy BAS 00462519?
You can request a quote for BAS 00462519 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00462519?
Yes, KEHONG BIO provides custom synthesis services for BAS 00462519 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.