![methyl 2-[[2-[1-(4-methoxycarbonylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]benzoate structure](/static/products/3464/346458-64-8.webp)
methyl 2-[[2-[1-(4-methoxycarbonylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]benzoate
TL;DR: methyl 2-[[2-[1-(4-methoxycarbonylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]benzoate (CAS 346458-64-8) is a chemical compound with molecular formula C19H17N5O5S and molecular weight 427.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[2-[1-(4-methoxycarbonylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]benzoate
Also Known As: methyl 2-[[2-[1-(4-methoxycarbonylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]benzoate, methyl 2-{[({1-[4-(methoxycarbonyl)phenyl]-1H-tetrazol-5-yl}thio)acetyl]amino}benzoate, METHYL 4-{5-[({[2-(METHOXYCARBONYL)PHENYL]CARBAMOYL}METHYL)SULFANYL]-1H-1,2,3,4-TETRAZOL-1-YL}BENZOATE, methyl 2-(2-((1-(4-(methoxycarbonyl)phenyl)-1H-tetrazol-5-yl)thio)acetamido)benzoate, methyl 2-{[({1-[4-(methoxycarbonyl)phenyl]-1H-tetraazol-5-yl}sulfanyl)acetyl]amino}benzoate
| Molecular Formula | C19H17N5O5S |
|---|---|
| Molecular Weight | 427.10 g/mol |
| LogP | 1.9663 |
| Topological Polar Surface Area | 125.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 427.09503 |
| Heavy Atoms | 30 |
| Complexity | 1067.1869 |
Chemical Identifiers
| CAS Number | 346458-64-8 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)N2C(=NN=N2)SCC(=O)NC3=CC=CC=C3C(=O)OC |
Product Overview
methyl 2-[[2-[1-(4-methoxycarbonylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]benzoate (CAS 346458-64-8), with molecular formula C19H17N5O5S and molecular weight 427.10 g/mol. IUPAC: methyl 2-[[2-[1-(4-methoxycarbonylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]benzoate.
Chemical Property Profile of methyl 2-[[2-[1-(4-methoxycarbonylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]benzoate
Property Insights of methyl 2-[[2-[1-(4-methoxycarbonylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]benzoate
The XLogP value of 1.9663 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 2-[[2-[1-(4-methoxycarbonylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]benzoate. The TPSA of 125.3 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-[[2-[1-(4-methoxycarbonylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]benzoate. Following Lipinski's Rule of Five, methyl 2-[[2-[1-(4-methoxycarbonylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]benzoate has 1 hydrogen bond donor(s) and 9 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 methyl 2-[[2-[1-(4-methoxycarbonylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]benzoate?
The CAS number of methyl 2-[[2-[1-(4-methoxycarbonylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]benzoate is 346458-64-8.
What is the molecular formula of methyl 2-[[2-[1-(4-methoxycarbonylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]benzoate?
The molecular formula of methyl 2-[[2-[1-(4-methoxycarbonylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]benzoate is C19H17N5O5S.
What is the molecular weight of methyl 2-[[2-[1-(4-methoxycarbonylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]benzoate?
The molecular weight of methyl 2-[[2-[1-(4-methoxycarbonylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]benzoate is 427.10 g/mol.
Where can I buy methyl 2-[[2-[1-(4-methoxycarbonylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]benzoate?
You can request a quote for methyl 2-[[2-[1-(4-methoxycarbonylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2-[[2-[1-(4-methoxycarbonylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-[[2-[1-(4-methoxycarbonylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.