amino]benzoate structure](/static/products/6231/62310-17-2.webp)
Ethyl 4-[[(4-methylphenyl)sulfonyl](2-oxiranylmethyl)amino]benzoate
TL;DR: Ethyl 4-[[(4-methylphenyl)sulfonyl](2-oxiranylmethyl)amino]benzoate (CAS 62310-17-2) is a chemical compound with molecular formula C19H21NO5S and molecular weight 375.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[(4-methylphenyl)sulfonyl-(oxiran-2-ylmethyl)amino]benzoate
Also Known As: ethyl 4-{[(4-methylphenyl)sulfonyl](oxiran-2-ylmethyl)amino}benzoate, ethyl 4-[(4-methylphenyl)sulfonyl-(oxiran-2-ylmethyl)amino]benzoate, ethyl 4-[[(4-methylphenyl)sulfonyl](2-oxiranylmethyl)amino]benzoate, Ethyl 4-{4-methyl-N-[(oxiran-2-yl)methyl]benzene-1-sulfonamido}benzoate
| Molecular Formula | C19H21NO5S |
|---|---|
| Molecular Weight | 375.11 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 84.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 375.11404 |
| Heavy Atoms | 26 |
| Complexity | 571.0 |
Chemical Identifiers
| CAS Number | 62310-17-2 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)N(CC2CO2)S(=O)(=O)C3=CC=C(C=C3)C |
| InChIKey | LIIATWHEFUPOBI-UHFFFAOYSA-N |
Product Overview
Ethyl 4-[[(4-methylphenyl)sulfonyl](2-oxiranylmethyl)amino]benzoate (CAS 62310-17-2), with molecular formula C19H21NO5S and molecular weight 375.11 g/mol. IUPAC: ethyl 4-[(4-methylphenyl)sulfonyl-(oxiran-2-ylmethyl)amino]benzoate.
Chemical Property Profile of Ethyl 4-[[(4-methylphenyl)sulfonyl](2-oxiranylmethyl)amino]benzoate
Property Insights of Ethyl 4-[[(4-methylphenyl)sulfonyl](2-oxiranylmethyl)amino]benzoate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-[[(4-methylphenyl)sulfonyl](2-oxiranylmethyl)amino]benzoate. The TPSA of 84.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-[[(4-methylphenyl)sulfonyl](2-oxiranylmethyl)amino]benzoate. Following Lipinski's Rule of Five, Ethyl 4-[[(4-methylphenyl)sulfonyl](2-oxiranylmethyl)amino]benzoate has 0 hydrogen bond donor(s) and 6 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 Ethyl 4-[[(4-methylphenyl)sulfonyl](2-oxiranylmethyl)amino]benzoate?
The CAS number of Ethyl 4-[[(4-methylphenyl)sulfonyl](2-oxiranylmethyl)amino]benzoate is 62310-17-2.
What is the molecular formula of Ethyl 4-[[(4-methylphenyl)sulfonyl](2-oxiranylmethyl)amino]benzoate?
The molecular formula of Ethyl 4-[[(4-methylphenyl)sulfonyl](2-oxiranylmethyl)amino]benzoate is C19H21NO5S.
What is the molecular weight of Ethyl 4-[[(4-methylphenyl)sulfonyl](2-oxiranylmethyl)amino]benzoate?
The molecular weight of Ethyl 4-[[(4-methylphenyl)sulfonyl](2-oxiranylmethyl)amino]benzoate is 375.11 g/mol.
Where can I buy Ethyl 4-[[(4-methylphenyl)sulfonyl](2-oxiranylmethyl)amino]benzoate?
You can request a quote for Ethyl 4-[[(4-methylphenyl)sulfonyl](2-oxiranylmethyl)amino]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-[[(4-methylphenyl)sulfonyl](2-oxiranylmethyl)amino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-[[(4-methylphenyl)sulfonyl](2-oxiranylmethyl)amino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.