![4-({[1-(3-hydroxyphenyl)-1H-tetrazol-5-yl]sulfanyl}methyl)benzoic acid structure](/static/products/671/671772-42-2.png)
4-({[1-(3-hydroxyphenyl)-1H-tetrazol-5-yl]sulfanyl}methyl)benzoic acid
TL;DR: 4-({[1-(3-hydroxyphenyl)-1H-tetrazol-5-yl]sulfanyl}methyl)benzoic acid (CAS 671772-42-2) is a chemical compound with molecular formula C15H12N4O3S and molecular weight 328.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[1-(3-hydroxyphenyl)tetrazol-5-yl]sulfanylmethyl]benzoic acid
Also Known As: 4-[[1-(3-hydroxyphenyl)tetrazol-5-yl]sulfanylmethyl]benzoic Acid, 4-(((1-(3-hydroxyphenyl)-1H-tetrazol-5-yl)thio)methyl)benzoic acid, 4-({[1-(3-hydroxyphenyl)-1H-tetrazol-5-yl]sulfanyl}methyl)benzoic acid
| Molecular Formula | C15H12N4O3S |
|---|---|
| Molecular Weight | 328.06 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 126.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 328.06302 |
| Heavy Atoms | 23 |
| Complexity | 406.0 |
Chemical Identifiers
| CAS Number | 671772-42-2 |
|---|---|
| SMILES | C1=CC(=CC(=C1)O)N2C(=NN=N2)SCC3=CC=C(C=C3)C(=O)O |
| InChIKey | QWMPLTYYMJLYEI-UHFFFAOYSA-N |
Product Overview
4-({[1-(3-hydroxyphenyl)-1H-tetrazol-5-yl]sulfanyl}methyl)benzoic acid (CAS 671772-42-2), with molecular formula C15H12N4O3S and molecular weight 328.06 g/mol. IUPAC: 4-[[1-(3-hydroxyphenyl)tetrazol-5-yl]sulfanylmethyl]benzoic acid.
Chemical Property Profile of 4-({[1-(3-hydroxyphenyl)-1H-tetrazol-5-yl]sulfanyl}methyl)benzoic acid
Property Insights of 4-({[1-(3-hydroxyphenyl)-1H-tetrazol-5-yl]sulfanyl}methyl)benzoic acid
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-({[1-(3-hydroxyphenyl)-1H-tetrazol-5-yl]sulfanyl}methyl)benzoic acid. The TPSA of 126.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-({[1-(3-hydroxyphenyl)-1H-tetrazol-5-yl]sulfanyl}methyl)benzoic acid. Following Lipinski's Rule of Five, 4-({[1-(3-hydroxyphenyl)-1H-tetrazol-5-yl]sulfanyl}methyl)benzoic acid has 2 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-({[1-(3-hydroxyphenyl)-1H-tetrazol-5-yl]sulfanyl}methyl)benzoic acid?
The CAS number of 4-({[1-(3-hydroxyphenyl)-1H-tetrazol-5-yl]sulfanyl}methyl)benzoic acid is 671772-42-2.
What is the molecular formula of 4-({[1-(3-hydroxyphenyl)-1H-tetrazol-5-yl]sulfanyl}methyl)benzoic acid?
The molecular formula of 4-({[1-(3-hydroxyphenyl)-1H-tetrazol-5-yl]sulfanyl}methyl)benzoic acid is C15H12N4O3S.
What is the molecular weight of 4-({[1-(3-hydroxyphenyl)-1H-tetrazol-5-yl]sulfanyl}methyl)benzoic acid?
The molecular weight of 4-({[1-(3-hydroxyphenyl)-1H-tetrazol-5-yl]sulfanyl}methyl)benzoic acid is 328.06 g/mol.
Where can I buy 4-({[1-(3-hydroxyphenyl)-1H-tetrazol-5-yl]sulfanyl}methyl)benzoic acid?
You can request a quote for 4-({[1-(3-hydroxyphenyl)-1H-tetrazol-5-yl]sulfanyl}methyl)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-({[1-(3-hydroxyphenyl)-1H-tetrazol-5-yl]sulfanyl}methyl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-({[1-(3-hydroxyphenyl)-1H-tetrazol-5-yl]sulfanyl}methyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.