![3-[[[2-(1-Cyclohexyltetrazol-5-yl)sulfanylacetyl]amino]methyl]benzoic acid structure](/static/products/6972/697246-24-5.webp)
3-[[[2-(1-Cyclohexyltetrazol-5-yl)sulfanylacetyl]amino]methyl]benzoic acid
TL;DR: 3-[[[2-(1-Cyclohexyltetrazol-5-yl)sulfanylacetyl]amino]methyl]benzoic acid (CAS 697246-24-5) is a chemical compound with molecular formula C17H21N5O3S and molecular weight 375.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[[2-(1-cyclohexyltetrazol-5-yl)sulfanylacetyl]amino]methyl]benzoic acid
Also Known As: BAS 07324772, A3660/0155121, 3-[[[2-(1-cyclohexyltetrazol-5-yl)sulfanylacetyl]amino]methyl]benzoic acid, 3-((2-((1-cyclohexyl-1H-tetrazol-5-yl)thio)acetamido)methyl)benzoic acid, 3-[({[(1-cyclohexyl-1H-tetrazol-5-yl)thio]acetyl}amino)methyl]benzoic acid
| Molecular Formula | C17H21N5O3S |
|---|---|
| Molecular Weight | 375.14 g/mol |
| LogP | 2.285 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 375.1365 |
| Heavy Atoms | 26 |
| Complexity | 773.2638 |
Chemical Identifiers
| CAS Number | 697246-24-5 |
|---|---|
| SMILES | C1CCC(CC1)N2C(=NN=N2)SCC(=O)NCC3=CC(=CC=C3)C(=O)O |
Product Overview
3-[[[2-(1-Cyclohexyltetrazol-5-yl)sulfanylacetyl]amino]methyl]benzoic acid (CAS 697246-24-5), with molecular formula C17H21N5O3S and molecular weight 375.14 g/mol. IUPAC: 3-[[[2-(1-cyclohexyltetrazol-5-yl)sulfanylacetyl]amino]methyl]benzoic acid.
Chemical Property Profile of 3-[[[2-(1-Cyclohexyltetrazol-5-yl)sulfanylacetyl]amino]methyl]benzoic acid
Property Insights of 3-[[[2-(1-Cyclohexyltetrazol-5-yl)sulfanylacetyl]amino]methyl]benzoic acid
The XLogP value of 2.285 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[[[2-(1-Cyclohexyltetrazol-5-yl)sulfanylacetyl]amino]methyl]benzoic acid. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[[[2-(1-Cyclohexyltetrazol-5-yl)sulfanylacetyl]amino]methyl]benzoic acid. Following Lipinski's Rule of Five, 3-[[[2-(1-Cyclohexyltetrazol-5-yl)sulfanylacetyl]amino]methyl]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-[[[2-(1-Cyclohexyltetrazol-5-yl)sulfanylacetyl]amino]methyl]benzoic acid?
The CAS number of 3-[[[2-(1-Cyclohexyltetrazol-5-yl)sulfanylacetyl]amino]methyl]benzoic acid is 697246-24-5.
What is the molecular formula of 3-[[[2-(1-Cyclohexyltetrazol-5-yl)sulfanylacetyl]amino]methyl]benzoic acid?
The molecular formula of 3-[[[2-(1-Cyclohexyltetrazol-5-yl)sulfanylacetyl]amino]methyl]benzoic acid is C17H21N5O3S.
What is the molecular weight of 3-[[[2-(1-Cyclohexyltetrazol-5-yl)sulfanylacetyl]amino]methyl]benzoic acid?
The molecular weight of 3-[[[2-(1-Cyclohexyltetrazol-5-yl)sulfanylacetyl]amino]methyl]benzoic acid is 375.14 g/mol.
Where can I buy 3-[[[2-(1-Cyclohexyltetrazol-5-yl)sulfanylacetyl]amino]methyl]benzoic acid?
You can request a quote for 3-[[[2-(1-Cyclohexyltetrazol-5-yl)sulfanylacetyl]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-[[[2-(1-Cyclohexyltetrazol-5-yl)sulfanylacetyl]amino]methyl]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[[[2-(1-Cyclohexyltetrazol-5-yl)sulfanylacetyl]amino]methyl]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.