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Methyl 2-[(4-tert-butylphenyl)sulfonylamino]benzoate
TL;DR: Methyl 2-[(4-tert-butylphenyl)sulfonylamino]benzoate (CAS 305374-37-2) is a chemical compound with molecular formula C18H21NO4S and molecular weight 347.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(4-tert-butylphenyl)sulfonylamino]benzoate
Also Known As: methyl 2-[(4-tert-butylphenyl)sulfonylamino]benzoate, METHYL 2-(4-TERT-BUTYLBENZENESULFONAMIDO)BENZOATE, methyl 2-(4-(tert-butyl)phenylsulfonamido)benzoate, methyl 2-{[(4-tert-butylphenyl)sulfonyl]amino}benzoate, F0808-1305
| Molecular Formula | C18H21NO4S |
|---|---|
| Molecular Weight | 347.12 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 80.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 347.11914 |
| Heavy Atoms | 24 |
| Complexity | 524.0 |
Chemical Identifiers
| CAS Number | 305374-37-2 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C(=O)OC |
| InChIKey | SGECJYRJOBMYEM-UHFFFAOYSA-N |
Product Overview
Methyl 2-[(4-tert-butylphenyl)sulfonylamino]benzoate (CAS 305374-37-2), with molecular formula C18H21NO4S and molecular weight 347.12 g/mol. IUPAC: methyl 2-[(4-tert-butylphenyl)sulfonylamino]benzoate.
Chemical Property Profile of Methyl 2-[(4-tert-butylphenyl)sulfonylamino]benzoate
Property Insights of Methyl 2-[(4-tert-butylphenyl)sulfonylamino]benzoate
The XLogP value of 4.5 indicates that Methyl 2-[(4-tert-butylphenyl)sulfonylamino]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-[(4-tert-butylphenyl)sulfonylamino]benzoate. Following Lipinski's Rule of Five, Methyl 2-[(4-tert-butylphenyl)sulfonylamino]benzoate has 1 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 Methyl 2-[(4-tert-butylphenyl)sulfonylamino]benzoate?
The CAS number of Methyl 2-[(4-tert-butylphenyl)sulfonylamino]benzoate is 305374-37-2.
What is the molecular formula of Methyl 2-[(4-tert-butylphenyl)sulfonylamino]benzoate?
The molecular formula of Methyl 2-[(4-tert-butylphenyl)sulfonylamino]benzoate is C18H21NO4S.
What is the molecular weight of Methyl 2-[(4-tert-butylphenyl)sulfonylamino]benzoate?
The molecular weight of Methyl 2-[(4-tert-butylphenyl)sulfonylamino]benzoate is 347.12 g/mol.
Where can I buy Methyl 2-[(4-tert-butylphenyl)sulfonylamino]benzoate?
You can request a quote for Methyl 2-[(4-tert-butylphenyl)sulfonylamino]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-[(4-tert-butylphenyl)sulfonylamino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-[(4-tert-butylphenyl)sulfonylamino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.