dimethyl 5-(2-isonicotinoylhydrazinecarbothioamido)isophthalate
TL;DR: dimethyl 5-(2-isonicotinoylhydrazinecarbothioamido)isophthalate (CAS 708292-64-2) is a chemical compound with molecular formula C17H16N4O5S and molecular weight 388.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 5-[(pyridine-4-carbonylamino)carbamothioylamino]benzene-1,3-dicarboxylate
Also Known As: dimethyl 5-(2-isonicotinoylhydrazinecarbothioamido)isophthalate, DIMETHYL 5-({[2-(4-PYRIDYLCARBONYL)HYDRAZINO]CARBOTHIOYL}AMINO)ISOPHTHALATE, dimethyl 5-[(pyridine-4-carbonylamino)carbamothioylamino]benzene-1,3-dicarboxylate, methyl 3-(methoxycarbonyl)-5-({[(4-pyridylcarbonylamino)amino]thioxomethyl}ami no)benzoate, dimethyl 5-({[2-(pyridin-4-ylcarbonyl)hydrazinyl]carbonothioyl}amino)benzene-1,3-dicarboxylate
| Molecular Formula | C17H16N4O5S |
|---|---|
| Molecular Weight | 388.08 g/mol |
| LogP | 1.2862 |
| Topological Polar Surface Area | 118.65 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 388.08414 |
| Heavy Atoms | 27 |
| Complexity | 838.6324 |
Chemical Identifiers
| CAS Number | 708292-64-2 |
|---|---|
| SMILES | COC(=O)C1=CC(=CC(=C1)NC(=S)NNC(=O)C2=CC=NC=C2)C(=O)OC |
Product Overview
dimethyl 5-(2-isonicotinoylhydrazinecarbothioamido)isophthalate (CAS 708292-64-2), with molecular formula C17H16N4O5S and molecular weight 388.08 g/mol. IUPAC: dimethyl 5-[(pyridine-4-carbonylamino)carbamothioylamino]benzene-1,3-dicarboxylate.
Chemical Property Profile of dimethyl 5-(2-isonicotinoylhydrazinecarbothioamido)isophthalate
Property Insights of dimethyl 5-(2-isonicotinoylhydrazinecarbothioamido)isophthalate
The XLogP value of 1.2862 suggests moderate lipophilicity, balancing water solubility and membrane permeability for dimethyl 5-(2-isonicotinoylhydrazinecarbothioamido)isophthalate. The TPSA of 118.65 Ų falls within the moderate polarity range, balancing permeability and solubility for dimethyl 5-(2-isonicotinoylhydrazinecarbothioamido)isophthalate. Following Lipinski's Rule of Five, dimethyl 5-(2-isonicotinoylhydrazinecarbothioamido)isophthalate has 3 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 dimethyl 5-(2-isonicotinoylhydrazinecarbothioamido)isophthalate?
The CAS number of dimethyl 5-(2-isonicotinoylhydrazinecarbothioamido)isophthalate is 708292-64-2.
What is the molecular formula of dimethyl 5-(2-isonicotinoylhydrazinecarbothioamido)isophthalate?
The molecular formula of dimethyl 5-(2-isonicotinoylhydrazinecarbothioamido)isophthalate is C17H16N4O5S.
What is the molecular weight of dimethyl 5-(2-isonicotinoylhydrazinecarbothioamido)isophthalate?
The molecular weight of dimethyl 5-(2-isonicotinoylhydrazinecarbothioamido)isophthalate is 388.08 g/mol.
Where can I buy dimethyl 5-(2-isonicotinoylhydrazinecarbothioamido)isophthalate?
You can request a quote for dimethyl 5-(2-isonicotinoylhydrazinecarbothioamido)isophthalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for dimethyl 5-(2-isonicotinoylhydrazinecarbothioamido)isophthalate?
Yes, KEHONG BIO provides custom synthesis services for dimethyl 5-(2-isonicotinoylhydrazinecarbothioamido)isophthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.