![4-[[1-(3,4-Dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]benzoic acid structure](/static/products/6341/634166-78-2.webp)
4-[[1-(3,4-Dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]benzoic acid
TL;DR: 4-[[1-(3,4-Dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]benzoic acid (CAS 634166-78-2) is a chemical compound with molecular formula C17H16N4O2S and molecular weight 340.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]benzoic acid
Also Known As: A3231/0137142, 4-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]benzoic acid, 4-(((1-(3,4-dimethylphenyl)-1H-tetrazol-5-yl)thio)methyl)benzoic acid, 4-({[1-(3,4-dimethylphenyl)-1H-tetrazol-5-yl]sulfanyl}methyl)benzoic acid, 4-({[1-(3,4-dimethylphenyl)-1H-tetrazol-5-yl]thio}methyl)benzoic acid
| Molecular Formula | C17H16N4O2S |
|---|---|
| Molecular Weight | 340.10 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 106.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 340.0994 |
| Heavy Atoms | 24 |
| Complexity | 431.0 |
Chemical Identifiers
| CAS Number | 634166-78-2 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)N2C(=NN=N2)SCC3=CC=C(C=C3)C(=O)O)C |
| InChIKey | PUXNRYAASFLXJO-UHFFFAOYSA-N |
Product Overview
4-[[1-(3,4-Dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]benzoic acid (CAS 634166-78-2), with molecular formula C17H16N4O2S and molecular weight 340.10 g/mol. IUPAC: 4-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]benzoic acid.
Chemical Property Profile of 4-[[1-(3,4-Dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]benzoic acid
Property Insights of 4-[[1-(3,4-Dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]benzoic acid
The XLogP value of 3.8 indicates that 4-[[1-(3,4-Dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[[1-(3,4-Dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]benzoic acid. Following Lipinski's Rule of Five, 4-[[1-(3,4-Dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]benzoic acid has 1 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 4-[[1-(3,4-Dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]benzoic acid?
The CAS number of 4-[[1-(3,4-Dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]benzoic acid is 634166-78-2.
What is the molecular formula of 4-[[1-(3,4-Dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]benzoic acid?
The molecular formula of 4-[[1-(3,4-Dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]benzoic acid is C17H16N4O2S.
What is the molecular weight of 4-[[1-(3,4-Dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]benzoic acid?
The molecular weight of 4-[[1-(3,4-Dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]benzoic acid is 340.10 g/mol.
Where can I buy 4-[[1-(3,4-Dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]benzoic acid?
You can request a quote for 4-[[1-(3,4-Dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]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-(3,4-Dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[[1-(3,4-Dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.