![4-{5-[(Methoxycarbonyl)methylthio]-1,3,4-oxadiazol-2-yl}benzoic acid structure](/static/products/881/881445-71-2.png)
4-{5-[(Methoxycarbonyl)methylthio]-1,3,4-oxadiazol-2-yl}benzoic acid
TL;DR: 4-{5-[(Methoxycarbonyl)methylthio]-1,3,4-oxadiazol-2-yl}benzoic acid (CAS 881445-71-2) is a chemical compound with molecular formula C12H10N2O5S and molecular weight 294.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[5-(2-methoxy-2-oxoethyl)sulfanyl-1,3,4-oxadiazol-2-yl]benzoic acid
Also Known As: SDCCGMLS-0065751.P001, VU0513257-1, 4-[5-(2-methoxy-2-oxoethyl)sulfanyl-1,3,4-oxadiazol-2-yl]benzoic acid, 4-{5-[(methoxycarbonyl)methylthio]-1,3,4-oxadiazol-2-yl}benzoic acid, F3212-0001
| Molecular Formula | C12H10N2O5S |
|---|---|
| Molecular Weight | 294.03 g/mol |
| LogP | 1.6999 |
| Topological Polar Surface Area | 102.52 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 294.03104 |
| Heavy Atoms | 20 |
| Complexity | 623.03284 |
Chemical Identifiers
| CAS Number | 881445-71-2 |
|---|---|
| SMILES | COC(=O)CSC1=NN=C(O1)C2=CC=C(C=C2)C(=O)O |
Product Overview
4-{5-[(Methoxycarbonyl)methylthio]-1,3,4-oxadiazol-2-yl}benzoic acid (CAS 881445-71-2), with molecular formula C12H10N2O5S and molecular weight 294.03 g/mol. IUPAC: 4-[5-(2-methoxy-2-oxoethyl)sulfanyl-1,3,4-oxadiazol-2-yl]benzoic acid.
Chemical Property Profile of 4-{5-[(Methoxycarbonyl)methylthio]-1,3,4-oxadiazol-2-yl}benzoic acid
Property Insights of 4-{5-[(Methoxycarbonyl)methylthio]-1,3,4-oxadiazol-2-yl}benzoic acid
The XLogP value of 1.6999 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-{5-[(Methoxycarbonyl)methylthio]-1,3,4-oxadiazol-2-yl}benzoic acid. The TPSA of 102.52 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{5-[(Methoxycarbonyl)methylthio]-1,3,4-oxadiazol-2-yl}benzoic acid. Following Lipinski's Rule of Five, 4-{5-[(Methoxycarbonyl)methylthio]-1,3,4-oxadiazol-2-yl}benzoic acid has 1 hydrogen bond donor(s) and 7 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 4-{5-[(Methoxycarbonyl)methylthio]-1,3,4-oxadiazol-2-yl}benzoic acid?
The CAS number of 4-{5-[(Methoxycarbonyl)methylthio]-1,3,4-oxadiazol-2-yl}benzoic acid is 881445-71-2.
What is the molecular formula of 4-{5-[(Methoxycarbonyl)methylthio]-1,3,4-oxadiazol-2-yl}benzoic acid?
The molecular formula of 4-{5-[(Methoxycarbonyl)methylthio]-1,3,4-oxadiazol-2-yl}benzoic acid is C12H10N2O5S.
What is the molecular weight of 4-{5-[(Methoxycarbonyl)methylthio]-1,3,4-oxadiazol-2-yl}benzoic acid?
The molecular weight of 4-{5-[(Methoxycarbonyl)methylthio]-1,3,4-oxadiazol-2-yl}benzoic acid is 294.03 g/mol.
Where can I buy 4-{5-[(Methoxycarbonyl)methylthio]-1,3,4-oxadiazol-2-yl}benzoic acid?
You can request a quote for 4-{5-[(Methoxycarbonyl)methylthio]-1,3,4-oxadiazol-2-yl}benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-{5-[(Methoxycarbonyl)methylthio]-1,3,4-oxadiazol-2-yl}benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-{5-[(Methoxycarbonyl)methylthio]-1,3,4-oxadiazol-2-yl}benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.