![3-[[2-(1,3-Benzoxazol-2-ylsulfanyl)acetyl]amino]-4-methylbenzoic acid structure](/static/products/838/838880-80-1.png)
3-[[2-(1,3-Benzoxazol-2-ylsulfanyl)acetyl]amino]-4-methylbenzoic acid
TL;DR: 3-[[2-(1,3-Benzoxazol-2-ylsulfanyl)acetyl]amino]-4-methylbenzoic acid (CAS 838880-80-1) is a chemical compound with molecular formula C17H14N2O4S and molecular weight 342.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]amino]-4-methylbenzoic acid
Also Known As: BAS 12711577, 3-[[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]amino]-4-methylbenzoic acid, 3-[2-(Benzooxazol-2-ylsulfanyl)-acetylamino]-4-methyl-benzoic acid, 3-{[(1,3-benzoxazol-2-ylsulfanyl)acetyl]amino}-4-methylbenzoic acid
| Molecular Formula | C17H14N2O4S |
|---|---|
| Molecular Weight | 342.07 g/mol |
| LogP | 3.56522 |
| Topological Polar Surface Area | 92.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 342.0674 |
| Heavy Atoms | 24 |
| Complexity | 886.8495 |
Chemical Identifiers
| CAS Number | 838880-80-1 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)O)NC(=O)CSC2=NC3=CC=CC=C3O2 |
Product Overview
3-[[2-(1,3-Benzoxazol-2-ylsulfanyl)acetyl]amino]-4-methylbenzoic acid (CAS 838880-80-1), with molecular formula C17H14N2O4S and molecular weight 342.07 g/mol. IUPAC: 3-[[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]amino]-4-methylbenzoic acid.
Chemical Property Profile of 3-[[2-(1,3-Benzoxazol-2-ylsulfanyl)acetyl]amino]-4-methylbenzoic acid
Property Insights of 3-[[2-(1,3-Benzoxazol-2-ylsulfanyl)acetyl]amino]-4-methylbenzoic acid
The XLogP value of 3.56522 indicates that 3-[[2-(1,3-Benzoxazol-2-ylsulfanyl)acetyl]amino]-4-methylbenzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.43 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[[2-(1,3-Benzoxazol-2-ylsulfanyl)acetyl]amino]-4-methylbenzoic acid. Following Lipinski's Rule of Five, 3-[[2-(1,3-Benzoxazol-2-ylsulfanyl)acetyl]amino]-4-methylbenzoic acid has 2 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 3-[[2-(1,3-Benzoxazol-2-ylsulfanyl)acetyl]amino]-4-methylbenzoic acid?
The CAS number of 3-[[2-(1,3-Benzoxazol-2-ylsulfanyl)acetyl]amino]-4-methylbenzoic acid is 838880-80-1.
What is the molecular formula of 3-[[2-(1,3-Benzoxazol-2-ylsulfanyl)acetyl]amino]-4-methylbenzoic acid?
The molecular formula of 3-[[2-(1,3-Benzoxazol-2-ylsulfanyl)acetyl]amino]-4-methylbenzoic acid is C17H14N2O4S.
What is the molecular weight of 3-[[2-(1,3-Benzoxazol-2-ylsulfanyl)acetyl]amino]-4-methylbenzoic acid?
The molecular weight of 3-[[2-(1,3-Benzoxazol-2-ylsulfanyl)acetyl]amino]-4-methylbenzoic acid is 342.07 g/mol.
Where can I buy 3-[[2-(1,3-Benzoxazol-2-ylsulfanyl)acetyl]amino]-4-methylbenzoic acid?
You can request a quote for 3-[[2-(1,3-Benzoxazol-2-ylsulfanyl)acetyl]amino]-4-methylbenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[[2-(1,3-Benzoxazol-2-ylsulfanyl)acetyl]amino]-4-methylbenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[[2-(1,3-Benzoxazol-2-ylsulfanyl)acetyl]amino]-4-methylbenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.