2-((3-Methoxy-benzyl)-(toluene-4-sulfonyl)-amino)-benzoic acid methyl ester
TL;DR: 2-((3-Methoxy-benzyl)-(toluene-4-sulfonyl)-amino)-benzoic acid methyl ester (CAS 6633-07-4) is a chemical compound with molecular formula C23H23NO5S and molecular weight 425.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(3-methoxyphenyl)methyl-(4-methylphenyl)sulfonylamino]benzoate
Also Known As: Methyl 2-[(3-methoxyphenyl)methyl-(4-methylphenyl)sulfonyl-amino]benzoate, methyl 2-[(3-methoxyphenyl)methyl-(4-methylphenyl)sulfonylamino]benzoate, methyl 2-{N-[(3-methoxyphenyl)methyl](4-methylbenzene)sulfonamido}benzoate, 2-((3-METHOXY-BENZYL)-(TOLUENE-4-SULFONYL)-AMINO)-BENZOIC ACID METHYL ESTER
| Molecular Formula | C23H23NO5S |
|---|---|
| Molecular Weight | 425.13 g/mol |
| LogP | 4.18572 |
| Topological Polar Surface Area | 72.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 425.1297 |
| Heavy Atoms | 30 |
| Complexity | 1140.2649 |
Chemical Identifiers
| CAS Number | 6633-07-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC(=CC=C2)OC)C3=CC=CC=C3C(=O)OC |
Product Overview
2-((3-Methoxy-benzyl)-(toluene-4-sulfonyl)-amino)-benzoic acid methyl ester (CAS 6633-07-4), with molecular formula C23H23NO5S and molecular weight 425.13 g/mol. IUPAC: methyl 2-[(3-methoxyphenyl)methyl-(4-methylphenyl)sulfonylamino]benzoate.
Chemical Property Profile of 2-((3-Methoxy-benzyl)-(toluene-4-sulfonyl)-amino)-benzoic acid methyl ester
Property Insights of 2-((3-Methoxy-benzyl)-(toluene-4-sulfonyl)-amino)-benzoic acid methyl ester
The XLogP value of 4.18572 indicates that 2-((3-Methoxy-benzyl)-(toluene-4-sulfonyl)-amino)-benzoic acid methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.91 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((3-Methoxy-benzyl)-(toluene-4-sulfonyl)-amino)-benzoic acid methyl ester. Following Lipinski's Rule of Five, 2-((3-Methoxy-benzyl)-(toluene-4-sulfonyl)-amino)-benzoic acid methyl ester has 0 hydrogen bond donor(s) and 5 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 2-((3-Methoxy-benzyl)-(toluene-4-sulfonyl)-amino)-benzoic acid methyl ester?
The CAS number of 2-((3-Methoxy-benzyl)-(toluene-4-sulfonyl)-amino)-benzoic acid methyl ester is 6633-07-4.
What is the molecular formula of 2-((3-Methoxy-benzyl)-(toluene-4-sulfonyl)-amino)-benzoic acid methyl ester?
The molecular formula of 2-((3-Methoxy-benzyl)-(toluene-4-sulfonyl)-amino)-benzoic acid methyl ester is C23H23NO5S.
What is the molecular weight of 2-((3-Methoxy-benzyl)-(toluene-4-sulfonyl)-amino)-benzoic acid methyl ester?
The molecular weight of 2-((3-Methoxy-benzyl)-(toluene-4-sulfonyl)-amino)-benzoic acid methyl ester is 425.13 g/mol.
Where can I buy 2-((3-Methoxy-benzyl)-(toluene-4-sulfonyl)-amino)-benzoic acid methyl ester?
You can request a quote for 2-((3-Methoxy-benzyl)-(toluene-4-sulfonyl)-amino)-benzoic acid methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((3-Methoxy-benzyl)-(toluene-4-sulfonyl)-amino)-benzoic acid methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-((3-Methoxy-benzyl)-(toluene-4-sulfonyl)-amino)-benzoic acid methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.