![3-[(1-Phenyl-1H-tetrazol-5-yl)thio]propanoic acid structure](/static/products/1021/102153-44-6.webp)
3-[(1-Phenyl-1H-tetrazol-5-yl)thio]propanoic acid
TL;DR: 3-[(1-Phenyl-1H-tetrazol-5-yl)thio]propanoic acid (CAS 102153-44-6) is a chemical compound with molecular formula C10H10N4O2S and molecular weight 250.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1-phenyltetrazol-5-yl)sulfanylpropanoic acid
Also Known As: 4-Methylphenetole, 3-[(1-Phenyl-1H-tetrazol-5-yl)thio]propanoic acid, 2-bromo-3-iodonaphthalene, 3- -PROPIONICACID, 3-((1-phenyl-1H-tetrazol-5-yl)thio)propanoic acid
| Molecular Formula | C10H10N4O2S |
|---|---|
| Molecular Weight | 250.05 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 106.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 250.05244 |
| Heavy Atoms | 17 |
| Complexity | 261.0 |
Chemical Identifiers
| CAS Number | 102153-44-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=NN=N2)SCCC(=O)O |
| InChIKey | OQHPRPRMWXDVOV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-[(1-Phenyl-1H-tetrazol-5-yl)thio]propanoic acid (CAS 102153-44-6), with molecular formula C10H10N4O2S and molecular weight 250.05 g/mol. IUPAC: 3-(1-phenyltetrazol-5-yl)sulfanylpropanoic acid.
Chemical Property Profile of 3-[(1-Phenyl-1H-tetrazol-5-yl)thio]propanoic acid
Property Insights of 3-[(1-Phenyl-1H-tetrazol-5-yl)thio]propanoic acid
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(1-Phenyl-1H-tetrazol-5-yl)thio]propanoic acid. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(1-Phenyl-1H-tetrazol-5-yl)thio]propanoic acid. Following Lipinski's Rule of Five, 3-[(1-Phenyl-1H-tetrazol-5-yl)thio]propanoic 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 3-[(1-Phenyl-1H-tetrazol-5-yl)thio]propanoic acid?
The CAS number of 3-[(1-Phenyl-1H-tetrazol-5-yl)thio]propanoic acid is 102153-44-6.
What is the molecular formula of 3-[(1-Phenyl-1H-tetrazol-5-yl)thio]propanoic acid?
The molecular formula of 3-[(1-Phenyl-1H-tetrazol-5-yl)thio]propanoic acid is C10H10N4O2S.
What is the molecular weight of 3-[(1-Phenyl-1H-tetrazol-5-yl)thio]propanoic acid?
The molecular weight of 3-[(1-Phenyl-1H-tetrazol-5-yl)thio]propanoic acid is 250.05 g/mol.
Where can I buy 3-[(1-Phenyl-1H-tetrazol-5-yl)thio]propanoic acid?
You can request a quote for 3-[(1-Phenyl-1H-tetrazol-5-yl)thio]propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(1-Phenyl-1H-tetrazol-5-yl)thio]propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[(1-Phenyl-1H-tetrazol-5-yl)thio]propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.