methyl 4-(2-((1-allyl-1H-tetrazol-5-yl)thio)acetamido)benzoate
TL;DR: methyl 4-(2-((1-allyl-1H-tetrazol-5-yl)thio)acetamido)benzoate (CAS 397266-73-8) is a chemical compound with molecular formula C14H15N5O3S and molecular weight 333.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[2-(1-prop-2-enyltetrazol-5-yl)sulfanylacetyl]amino]benzoate
Also Known As: methyl 4-(2-((1-allyl-1H-tetrazol-5-yl)thio)acetamido)benzoate, methyl 4-[[2-(1-prop-2-enyltetrazol-5-yl)sulfanylacetyl]amino]benzoate, methyl 4-(2-{[1-(prop-2-en-1-yl)-1H-1,2,3,4-tetrazol-5-yl]sulfanyl}acetamido)benzoate, methyl p-{[(1-allyl-1H-tetraazol-5-ylthio)methyl]carbonylamino}benzoate
| Molecular Formula | C14H15N5O3S |
|---|---|
| Molecular Weight | 333.09 g/mol |
| LogP | 1.3765 |
| Topological Polar Surface Area | 99.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 333.08957 |
| Heavy Atoms | 23 |
| Complexity | 698.69324 |
Chemical Identifiers
| CAS Number | 397266-73-8 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=NN2CC=C |
Product Overview
methyl 4-(2-((1-allyl-1H-tetrazol-5-yl)thio)acetamido)benzoate (CAS 397266-73-8), with molecular formula C14H15N5O3S and molecular weight 333.09 g/mol. IUPAC: methyl 4-[[2-(1-prop-2-enyltetrazol-5-yl)sulfanylacetyl]amino]benzoate.
Chemical Property Profile of methyl 4-(2-((1-allyl-1H-tetrazol-5-yl)thio)acetamido)benzoate
Property Insights of methyl 4-(2-((1-allyl-1H-tetrazol-5-yl)thio)acetamido)benzoate
The XLogP value of 1.3765 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 4-(2-((1-allyl-1H-tetrazol-5-yl)thio)acetamido)benzoate. The TPSA of 99.0 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-(2-((1-allyl-1H-tetrazol-5-yl)thio)acetamido)benzoate. Following Lipinski's Rule of Five, methyl 4-(2-((1-allyl-1H-tetrazol-5-yl)thio)acetamido)benzoate has 1 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 methyl 4-(2-((1-allyl-1H-tetrazol-5-yl)thio)acetamido)benzoate?
The CAS number of methyl 4-(2-((1-allyl-1H-tetrazol-5-yl)thio)acetamido)benzoate is 397266-73-8.
What is the molecular formula of methyl 4-(2-((1-allyl-1H-tetrazol-5-yl)thio)acetamido)benzoate?
The molecular formula of methyl 4-(2-((1-allyl-1H-tetrazol-5-yl)thio)acetamido)benzoate is C14H15N5O3S.
What is the molecular weight of methyl 4-(2-((1-allyl-1H-tetrazol-5-yl)thio)acetamido)benzoate?
The molecular weight of methyl 4-(2-((1-allyl-1H-tetrazol-5-yl)thio)acetamido)benzoate is 333.09 g/mol.
Where can I buy methyl 4-(2-((1-allyl-1H-tetrazol-5-yl)thio)acetamido)benzoate?
You can request a quote for methyl 4-(2-((1-allyl-1H-tetrazol-5-yl)thio)acetamido)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 4-(2-((1-allyl-1H-tetrazol-5-yl)thio)acetamido)benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-(2-((1-allyl-1H-tetrazol-5-yl)thio)acetamido)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.