dimethyl 5-(2-(thiophene-2-carbonyl)hydrazinecarbothioamido)isophthalate
TL;DR: dimethyl 5-(2-(thiophene-2-carbonyl)hydrazinecarbothioamido)isophthalate (CAS 708281-32-7) is a chemical compound with molecular formula C16H15N3O5S2 and molecular weight 393.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 5-[(thiophene-2-carbonylamino)carbamothioylamino]benzene-1,3-dicarboxylate
Also Known As: dimethyl 5-(2-(thiophene-2-carbonyl)hydrazinecarbothioamido)isophthalate, DIMETHYL 5-({[2-(2-THIENYLCARBONYL)HYDRAZINO]CARBOTHIOYL}AMINO)ISOPHTHALATE, dimethyl 5-[(thiophene-2-carbonylamino)carbamothioylamino]benzene-1,3-dicarboxylate, methyl 3-(methoxycarbonyl)-5-({[(2-thienylcarbonylamino)amino]thioxomethyl}ami no)benzoate, dimethyl 5-({[2-(thiophen-2-ylcarbonyl)hydrazinyl]carbonothioyl}amino)benzene-1,3-dicarboxylate
| Molecular Formula | C16H15N3O5S2 |
|---|---|
| Molecular Weight | 393.05 g/mol |
| LogP | 1.9527 |
| Topological Polar Surface Area | 105.76 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 393.04532 |
| Heavy Atoms | 26 |
| Complexity | 802.1657 |
Chemical Identifiers
| CAS Number | 708281-32-7 |
|---|---|
| SMILES | COC(=O)C1=CC(=CC(=C1)NC(=S)NNC(=O)C2=CC=CS2)C(=O)OC |
Product Overview
dimethyl 5-(2-(thiophene-2-carbonyl)hydrazinecarbothioamido)isophthalate (CAS 708281-32-7), with molecular formula C16H15N3O5S2 and molecular weight 393.05 g/mol. IUPAC: dimethyl 5-[(thiophene-2-carbonylamino)carbamothioylamino]benzene-1,3-dicarboxylate.
Chemical Property Profile of dimethyl 5-(2-(thiophene-2-carbonyl)hydrazinecarbothioamido)isophthalate
Property Insights of dimethyl 5-(2-(thiophene-2-carbonyl)hydrazinecarbothioamido)isophthalate
The XLogP value of 1.9527 suggests moderate lipophilicity, balancing water solubility and membrane permeability for dimethyl 5-(2-(thiophene-2-carbonyl)hydrazinecarbothioamido)isophthalate. The TPSA of 105.76 Ų falls within the moderate polarity range, balancing permeability and solubility for dimethyl 5-(2-(thiophene-2-carbonyl)hydrazinecarbothioamido)isophthalate. Following Lipinski's Rule of Five, dimethyl 5-(2-(thiophene-2-carbonyl)hydrazinecarbothioamido)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-(thiophene-2-carbonyl)hydrazinecarbothioamido)isophthalate?
The CAS number of dimethyl 5-(2-(thiophene-2-carbonyl)hydrazinecarbothioamido)isophthalate is 708281-32-7.
What is the molecular formula of dimethyl 5-(2-(thiophene-2-carbonyl)hydrazinecarbothioamido)isophthalate?
The molecular formula of dimethyl 5-(2-(thiophene-2-carbonyl)hydrazinecarbothioamido)isophthalate is C16H15N3O5S2.
What is the molecular weight of dimethyl 5-(2-(thiophene-2-carbonyl)hydrazinecarbothioamido)isophthalate?
The molecular weight of dimethyl 5-(2-(thiophene-2-carbonyl)hydrazinecarbothioamido)isophthalate is 393.05 g/mol.
Where can I buy dimethyl 5-(2-(thiophene-2-carbonyl)hydrazinecarbothioamido)isophthalate?
You can request a quote for dimethyl 5-(2-(thiophene-2-carbonyl)hydrazinecarbothioamido)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-(thiophene-2-carbonyl)hydrazinecarbothioamido)isophthalate?
Yes, KEHONG BIO provides custom synthesis services for dimethyl 5-(2-(thiophene-2-carbonyl)hydrazinecarbothioamido)isophthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.