BAS 00462518
TL;DR: BAS 00462518 (CAS 313502-77-1) is a chemical compound with molecular formula C23H23BrN2O4S and molecular weight 502.06 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]-phenylmethyl]amino]acetate
Also Known As: BAS 00462518, methyl 2-[[[5-bromo-2-[(4-methylphenyl)sulfonylamino]phenyl]-phenylmethyl]amino]acetate, methyl 2-(((5-bromo-2-(4-methylphenylsulfonamido)phenyl)(phenyl)methyl)amino)acetate, methyl 2-{[(5-bromo-2-{[(4-methylphenyl)sulfonyl]amino}phenyl)phenylmethyl]ami no}acetate, methyl N-[(5-bromo-2-{[(4-methylphenyl)sulfonyl]amino}phenyl)(phenyl)methyl]glycinate
| Molecular Formula | C23H23BrN2O4S |
|---|---|
| Molecular Weight | 502.06 g/mol |
| LogP | 4.41032 |
| Topological Polar Surface Area | 84.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 502.05618 |
| Heavy Atoms | 31 |
| Complexity | 1149.9539 |
Chemical Identifiers
| CAS Number | 313502-77-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=C(C=C2)Br)C(C3=CC=CC=C3)NCC(=O)OC |
Product Overview
BAS 00462518 (CAS 313502-77-1), with molecular formula C23H23BrN2O4S and molecular weight 502.06 g/mol. IUPAC: methyl 2-[[[5-bromo-2-[(4-methylphenyl)sulfonylamino]phenyl]-phenylmethyl]amino]acetate.
Chemical Property Profile of BAS 00462518
Property Insights of BAS 00462518
The XLogP value of 4.41032 indicates that BAS 00462518 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 00462518. Following Lipinski's Rule of Five, BAS 00462518 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 00462518?
The CAS number of BAS 00462518 is 313502-77-1.
What is the molecular formula of BAS 00462518?
The molecular formula of BAS 00462518 is C23H23BrN2O4S.
What is the molecular weight of BAS 00462518?
The molecular weight of BAS 00462518 is 502.06 g/mol.
Where can I buy BAS 00462518?
You can request a quote for BAS 00462518 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00462518?
Yes, KEHONG BIO provides custom synthesis services for BAS 00462518 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.