![{5-[(4-Ethoxy-phenylcarbamoyl)-methylsulfanyl]-tetrazol-1-yl}-acetic acid structure](/static/products/4332/433251-85-5.webp)
{5-[(4-Ethoxy-phenylcarbamoyl)-methylsulfanyl]-tetrazol-1-yl}-acetic acid
TL;DR: {5-[(4-Ethoxy-phenylcarbamoyl)-methylsulfanyl]-tetrazol-1-yl}-acetic acid (CAS 433251-85-5) is a chemical compound with molecular formula C13H15N5O4S and molecular weight 337.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[5-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyltetrazol-1-yl]acetic acid
Also Known As: TimTec1_002513, BAS 04204020, {5-[(4-Ethoxy-phenylcarbamoyl)-methylsulfanyl]-tetrazol-1-yl}-acetic acid, A2806/0118667, 2-[5-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyltetrazol-1-yl]acetic acid
| Molecular Formula | C13H15N5O4S |
|---|---|
| Molecular Weight | 337.08 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 145.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 337.08447 |
| Heavy Atoms | 23 |
| Complexity | 406.0 |
Chemical Identifiers
| CAS Number | 433251-85-5 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)NC(=O)CSC2=NN=NN2CC(=O)O |
| InChIKey | GXTJZVVMJKCOSZ-UHFFFAOYSA-N |
Product Overview
{5-[(4-Ethoxy-phenylcarbamoyl)-methylsulfanyl]-tetrazol-1-yl}-acetic acid (CAS 433251-85-5), with molecular formula C13H15N5O4S and molecular weight 337.08 g/mol. IUPAC: 2-[5-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyltetrazol-1-yl]acetic acid.
Chemical Property Profile of {5-[(4-Ethoxy-phenylcarbamoyl)-methylsulfanyl]-tetrazol-1-yl}-acetic acid
Property Insights of {5-[(4-Ethoxy-phenylcarbamoyl)-methylsulfanyl]-tetrazol-1-yl}-acetic acid
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for {5-[(4-Ethoxy-phenylcarbamoyl)-methylsulfanyl]-tetrazol-1-yl}-acetic acid. The TPSA of 145.0 Ų indicates high polarity, suggesting {5-[(4-Ethoxy-phenylcarbamoyl)-methylsulfanyl]-tetrazol-1-yl}-acetic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, {5-[(4-Ethoxy-phenylcarbamoyl)-methylsulfanyl]-tetrazol-1-yl}-acetic acid has 2 hydrogen bond donor(s) and 8 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 {5-[(4-Ethoxy-phenylcarbamoyl)-methylsulfanyl]-tetrazol-1-yl}-acetic acid?
The CAS number of {5-[(4-Ethoxy-phenylcarbamoyl)-methylsulfanyl]-tetrazol-1-yl}-acetic acid is 433251-85-5.
What is the molecular formula of {5-[(4-Ethoxy-phenylcarbamoyl)-methylsulfanyl]-tetrazol-1-yl}-acetic acid?
The molecular formula of {5-[(4-Ethoxy-phenylcarbamoyl)-methylsulfanyl]-tetrazol-1-yl}-acetic acid is C13H15N5O4S.
What is the molecular weight of {5-[(4-Ethoxy-phenylcarbamoyl)-methylsulfanyl]-tetrazol-1-yl}-acetic acid?
The molecular weight of {5-[(4-Ethoxy-phenylcarbamoyl)-methylsulfanyl]-tetrazol-1-yl}-acetic acid is 337.08 g/mol.
Where can I buy {5-[(4-Ethoxy-phenylcarbamoyl)-methylsulfanyl]-tetrazol-1-yl}-acetic acid?
You can request a quote for {5-[(4-Ethoxy-phenylcarbamoyl)-methylsulfanyl]-tetrazol-1-yl}-acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for {5-[(4-Ethoxy-phenylcarbamoyl)-methylsulfanyl]-tetrazol-1-yl}-acetic acid?
Yes, KEHONG BIO provides custom synthesis services for {5-[(4-Ethoxy-phenylcarbamoyl)-methylsulfanyl]-tetrazol-1-yl}-acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.