![3-[5-[2-(2-Fluoroanilino)-2-oxoethyl]sulfanyltetrazol-1-yl]benzoic acid structure](/static/products/6341/634166-22-6.webp)
3-[5-[2-(2-Fluoroanilino)-2-oxoethyl]sulfanyltetrazol-1-yl]benzoic acid
TL;DR: 3-[5-[2-(2-Fluoroanilino)-2-oxoethyl]sulfanyltetrazol-1-yl]benzoic acid (CAS 634166-22-6) is a chemical compound with molecular formula C16H12FN5O3S and molecular weight 373.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[5-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyltetrazol-1-yl]benzoic acid
Also Known As: CBKinase1_005692, CBKinase1_018092, A3244/0137814, BRD-K29763959-001-01-4, 3-[5-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyltetrazol-1-yl]benzoic acid
| Molecular Formula | C16H12FN5O3S |
|---|---|
| Molecular Weight | 373.06 g/mol |
| LogP | 2.2304 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 373.06448 |
| Heavy Atoms | 26 |
| Complexity | 962.3181 |
Chemical Identifiers
| CAS Number | 634166-22-6 |
|---|---|
| SMILES | C1=CC=C(C(=C1)NC(=O)CSC2=NN=NN2C3=CC=CC(=C3)C(=O)O)F |
Product Overview
3-[5-[2-(2-Fluoroanilino)-2-oxoethyl]sulfanyltetrazol-1-yl]benzoic acid (CAS 634166-22-6), with molecular formula C16H12FN5O3S and molecular weight 373.06 g/mol. IUPAC: 3-[5-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyltetrazol-1-yl]benzoic acid.
Chemical Property Profile of 3-[5-[2-(2-Fluoroanilino)-2-oxoethyl]sulfanyltetrazol-1-yl]benzoic acid
Property Insights of 3-[5-[2-(2-Fluoroanilino)-2-oxoethyl]sulfanyltetrazol-1-yl]benzoic acid
The XLogP value of 2.2304 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[5-[2-(2-Fluoroanilino)-2-oxoethyl]sulfanyltetrazol-1-yl]benzoic acid. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[5-[2-(2-Fluoroanilino)-2-oxoethyl]sulfanyltetrazol-1-yl]benzoic acid. Following Lipinski's Rule of Five, 3-[5-[2-(2-Fluoroanilino)-2-oxoethyl]sulfanyltetrazol-1-yl]benzoic acid has 2 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 3-[5-[2-(2-Fluoroanilino)-2-oxoethyl]sulfanyltetrazol-1-yl]benzoic acid?
The CAS number of 3-[5-[2-(2-Fluoroanilino)-2-oxoethyl]sulfanyltetrazol-1-yl]benzoic acid is 634166-22-6.
What is the molecular formula of 3-[5-[2-(2-Fluoroanilino)-2-oxoethyl]sulfanyltetrazol-1-yl]benzoic acid?
The molecular formula of 3-[5-[2-(2-Fluoroanilino)-2-oxoethyl]sulfanyltetrazol-1-yl]benzoic acid is C16H12FN5O3S.
What is the molecular weight of 3-[5-[2-(2-Fluoroanilino)-2-oxoethyl]sulfanyltetrazol-1-yl]benzoic acid?
The molecular weight of 3-[5-[2-(2-Fluoroanilino)-2-oxoethyl]sulfanyltetrazol-1-yl]benzoic acid is 373.06 g/mol.
Where can I buy 3-[5-[2-(2-Fluoroanilino)-2-oxoethyl]sulfanyltetrazol-1-yl]benzoic acid?
You can request a quote for 3-[5-[2-(2-Fluoroanilino)-2-oxoethyl]sulfanyltetrazol-1-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 3-[5-[2-(2-Fluoroanilino)-2-oxoethyl]sulfanyltetrazol-1-yl]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[5-[2-(2-Fluoroanilino)-2-oxoethyl]sulfanyltetrazol-1-yl]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.