diethyl 5-(2-((1-phenyl-1H-tetrazol-5-yl)thio)acetamido)isophthalate
TL;DR: diethyl 5-(2-((1-phenyl-1H-tetrazol-5-yl)thio)acetamido)isophthalate (CAS 315678-98-9) is a chemical compound with molecular formula C21H21N5O5S and molecular weight 455.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 5-[[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]amino]benzene-1,3-dicarboxylate
Also Known As: diethyl 5-(2-((1-phenyl-1H-tetrazol-5-yl)thio)acetamido)isophthalate, AB00685263-01, F0825-0095, AF-399/37374007, diethyl 5-[[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]amino]benzene-1,3-dicarboxylate
| Molecular Formula | C21H21N5O5S |
|---|---|
| Molecular Weight | 455.13 g/mol |
| LogP | 2.7465 |
| Topological Polar Surface Area | 125.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 455.12634 |
| Heavy Atoms | 32 |
| Complexity | 1066.7196 |
Chemical Identifiers
| CAS Number | 315678-98-9 |
|---|---|
| SMILES | CCOC(=O)C1=CC(=CC(=C1)NC(=O)CSC2=NN=NN2C3=CC=CC=C3)C(=O)OCC |
Product Overview
diethyl 5-(2-((1-phenyl-1H-tetrazol-5-yl)thio)acetamido)isophthalate (CAS 315678-98-9), with molecular formula C21H21N5O5S and molecular weight 455.13 g/mol. IUPAC: diethyl 5-[[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]amino]benzene-1,3-dicarboxylate.
Chemical Property Profile of diethyl 5-(2-((1-phenyl-1H-tetrazol-5-yl)thio)acetamido)isophthalate
Property Insights of diethyl 5-(2-((1-phenyl-1H-tetrazol-5-yl)thio)acetamido)isophthalate
The XLogP value of 2.7465 suggests moderate lipophilicity, balancing water solubility and membrane permeability for diethyl 5-(2-((1-phenyl-1H-tetrazol-5-yl)thio)acetamido)isophthalate. The TPSA of 125.3 Ų falls within the moderate polarity range, balancing permeability and solubility for diethyl 5-(2-((1-phenyl-1H-tetrazol-5-yl)thio)acetamido)isophthalate. Following Lipinski's Rule of Five, diethyl 5-(2-((1-phenyl-1H-tetrazol-5-yl)thio)acetamido)isophthalate 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 diethyl 5-(2-((1-phenyl-1H-tetrazol-5-yl)thio)acetamido)isophthalate?
The CAS number of diethyl 5-(2-((1-phenyl-1H-tetrazol-5-yl)thio)acetamido)isophthalate is 315678-98-9.
What is the molecular formula of diethyl 5-(2-((1-phenyl-1H-tetrazol-5-yl)thio)acetamido)isophthalate?
The molecular formula of diethyl 5-(2-((1-phenyl-1H-tetrazol-5-yl)thio)acetamido)isophthalate is C21H21N5O5S.
What is the molecular weight of diethyl 5-(2-((1-phenyl-1H-tetrazol-5-yl)thio)acetamido)isophthalate?
The molecular weight of diethyl 5-(2-((1-phenyl-1H-tetrazol-5-yl)thio)acetamido)isophthalate is 455.13 g/mol.
Where can I buy diethyl 5-(2-((1-phenyl-1H-tetrazol-5-yl)thio)acetamido)isophthalate?
You can request a quote for diethyl 5-(2-((1-phenyl-1H-tetrazol-5-yl)thio)acetamido)isophthalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for diethyl 5-(2-((1-phenyl-1H-tetrazol-5-yl)thio)acetamido)isophthalate?
Yes, KEHONG BIO provides custom synthesis services for diethyl 5-(2-((1-phenyl-1H-tetrazol-5-yl)thio)acetamido)isophthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.