A3472/0147194
TL;DR: A3472/0147194 (CAS 488100-85-2) is a chemical compound with molecular formula C17H14N4O4S and molecular weight 370.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]benzoate
Also Known As: A3472/0147194, Benzoic acid, 2-[2-(5-pyridin-4-yl-[1,3,4]oxadiazol-2-ylsulfanyl)acetylamino]-, methyl ester, methyl 2-(2-((5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl)thio)acetamido)benzoate, METHYL 2-(2-{[5-(PYRIDIN-4-YL)-1,3,4-OXADIAZOL-2-YL]SULFANYL}ACETAMIDO)BENZOATE, methyl 2-[({[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetyl)amino]benzoate
| Molecular Formula | C17H14N4O4S |
|---|---|
| Molecular Weight | 370.07 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 133.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 370.07358 |
| Heavy Atoms | 26 |
| Complexity | 489.0 |
Chemical Identifiers
| CAS Number | 488100-85-2 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1NC(=O)CSC2=NN=C(O2)C3=CC=NC=C3 |
| InChIKey | WXQWGOAIJFGVGQ-UHFFFAOYSA-N |
Product Overview
A3472/0147194 (CAS 488100-85-2), with molecular formula C17H14N4O4S and molecular weight 370.07 g/mol. IUPAC: methyl 2-[[2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]benzoate.
Chemical Property Profile of A3472/0147194
Property Insights of A3472/0147194
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A3472/0147194. The TPSA of 133.0 Ų falls within the moderate polarity range, balancing permeability and solubility for A3472/0147194. Following Lipinski's Rule of Five, A3472/0147194 has 1 hydrogen bond donor(s) and 8 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 A3472/0147194?
The CAS number of A3472/0147194 is 488100-85-2.
What is the molecular formula of A3472/0147194?
The molecular formula of A3472/0147194 is C17H14N4O4S.
What is the molecular weight of A3472/0147194?
The molecular weight of A3472/0147194 is 370.07 g/mol.
Where can I buy A3472/0147194?
You can request a quote for A3472/0147194 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3472/0147194?
Yes, KEHONG BIO provides custom synthesis services for A3472/0147194 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.