![3-[({[(1-methyl-1H-tetrazol-5-yl)sulfanyl]acetyl}amino)methyl]benzoic acid structure](/static/products/670/670240-91-2.png)
3-[({[(1-methyl-1H-tetrazol-5-yl)sulfanyl]acetyl}amino)methyl]benzoic acid
TL;DR: 3-[({[(1-methyl-1H-tetrazol-5-yl)sulfanyl]acetyl}amino)methyl]benzoic acid (CAS 670240-91-2) is a chemical compound with molecular formula C12H13N5O3S and molecular weight 307.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]methyl]benzoic acid
Also Known As: ChemDiv3_006016, BAS 06976264, IDI1_023926, 3-((2-((1-methyl-1H-tetrazol-5-yl)thio)acetamido)methyl)benzoic acid, 3-[({[(1-methyl-1H-tetrazol-5-yl)sulfanyl]acetyl}amino)methyl]benzoic acid
| Molecular Formula | C12H13N5O3S |
|---|---|
| Molecular Weight | 307.07 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 135.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 307.0739 |
| Heavy Atoms | 21 |
| Complexity | 384.0 |
Chemical Identifiers
| CAS Number | 670240-91-2 |
|---|---|
| SMILES | CN1C(=NN=N1)SCC(=O)NCC2=CC(=CC=C2)C(=O)O |
| InChIKey | VFLKCLRFMVRDQB-UHFFFAOYSA-N |
Product Overview
3-[({[(1-methyl-1H-tetrazol-5-yl)sulfanyl]acetyl}amino)methyl]benzoic acid (CAS 670240-91-2), with molecular formula C12H13N5O3S and molecular weight 307.07 g/mol. IUPAC: 3-[[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]methyl]benzoic acid.
Chemical Property Profile of 3-[({[(1-methyl-1H-tetrazol-5-yl)sulfanyl]acetyl}amino)methyl]benzoic acid
Property Insights of 3-[({[(1-methyl-1H-tetrazol-5-yl)sulfanyl]acetyl}amino)methyl]benzoic acid
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[({[(1-methyl-1H-tetrazol-5-yl)sulfanyl]acetyl}amino)methyl]benzoic acid. The TPSA of 135.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[({[(1-methyl-1H-tetrazol-5-yl)sulfanyl]acetyl}amino)methyl]benzoic acid. Following Lipinski's Rule of Five, 3-[({[(1-methyl-1H-tetrazol-5-yl)sulfanyl]acetyl}amino)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 3-[({[(1-methyl-1H-tetrazol-5-yl)sulfanyl]acetyl}amino)methyl]benzoic acid?
The CAS number of 3-[({[(1-methyl-1H-tetrazol-5-yl)sulfanyl]acetyl}amino)methyl]benzoic acid is 670240-91-2.
What is the molecular formula of 3-[({[(1-methyl-1H-tetrazol-5-yl)sulfanyl]acetyl}amino)methyl]benzoic acid?
The molecular formula of 3-[({[(1-methyl-1H-tetrazol-5-yl)sulfanyl]acetyl}amino)methyl]benzoic acid is C12H13N5O3S.
What is the molecular weight of 3-[({[(1-methyl-1H-tetrazol-5-yl)sulfanyl]acetyl}amino)methyl]benzoic acid?
The molecular weight of 3-[({[(1-methyl-1H-tetrazol-5-yl)sulfanyl]acetyl}amino)methyl]benzoic acid is 307.07 g/mol.
Where can I buy 3-[({[(1-methyl-1H-tetrazol-5-yl)sulfanyl]acetyl}amino)methyl]benzoic acid?
You can request a quote for 3-[({[(1-methyl-1H-tetrazol-5-yl)sulfanyl]acetyl}amino)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 3-[({[(1-methyl-1H-tetrazol-5-yl)sulfanyl]acetyl}amino)methyl]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[({[(1-methyl-1H-tetrazol-5-yl)sulfanyl]acetyl}amino)methyl]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.