dimethyl 5-(2-hexanoylhydrazinecarbothioamido)-3-methylthiophene-2,4-dicarboxylate
TL;DR: dimethyl 5-(2-hexanoylhydrazinecarbothioamido)-3-methylthiophene-2,4-dicarboxylate (CAS 701929-32-0) is a chemical compound with molecular formula C16H23N3O5S2 and molecular weight 401.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 5-[(hexanoylamino)carbamothioylamino]-3-methylthiophene-2,4-dicarboxylate
Also Known As: dimethyl 5-(2-hexanoylhydrazinecarbothioamido)-3-methylthiophene-2,4-dicarboxylate, dimethyl 5-[(hexanoylamino)carbamothioylamino]-3-methylthiophene-2,4-dicarboxylate, dimethyl 5-{[(2-hexanoylhydrazinyl)carbonothioyl]amino}-3-methylthiophene-2,4-dicarboxylate, methyl 2-({[(hexanoylamino)amino]thioxomethyl}amino)-5-(methoxycarbonyl)-4-met hylthiophene-3-carboxylate
| Molecular Formula | C16H23N3O5S2 |
|---|---|
| Molecular Weight | 401.11 g/mol |
| LogP | 2.52762 |
| Topological Polar Surface Area | 105.76 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 401.1079 |
| Heavy Atoms | 26 |
| Complexity | 687.6702 |
Chemical Identifiers
| CAS Number | 701929-32-0 |
|---|---|
| SMILES | CCCCCC(=O)NNC(=S)NC1=C(C(=C(S1)C(=O)OC)C)C(=O)OC |
Product Overview
dimethyl 5-(2-hexanoylhydrazinecarbothioamido)-3-methylthiophene-2,4-dicarboxylate (CAS 701929-32-0), with molecular formula C16H23N3O5S2 and molecular weight 401.11 g/mol. IUPAC: dimethyl 5-[(hexanoylamino)carbamothioylamino]-3-methylthiophene-2,4-dicarboxylate.
Chemical Property Profile of dimethyl 5-(2-hexanoylhydrazinecarbothioamido)-3-methylthiophene-2,4-dicarboxylate
Property Insights of dimethyl 5-(2-hexanoylhydrazinecarbothioamido)-3-methylthiophene-2,4-dicarboxylate
The XLogP value of 2.52762 suggests moderate lipophilicity, balancing water solubility and membrane permeability for dimethyl 5-(2-hexanoylhydrazinecarbothioamido)-3-methylthiophene-2,4-dicarboxylate. The TPSA of 105.76 Ų falls within the moderate polarity range, balancing permeability and solubility for dimethyl 5-(2-hexanoylhydrazinecarbothioamido)-3-methylthiophene-2,4-dicarboxylate. Following Lipinski's Rule of Five, dimethyl 5-(2-hexanoylhydrazinecarbothioamido)-3-methylthiophene-2,4-dicarboxylate 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-hexanoylhydrazinecarbothioamido)-3-methylthiophene-2,4-dicarboxylate?
The CAS number of dimethyl 5-(2-hexanoylhydrazinecarbothioamido)-3-methylthiophene-2,4-dicarboxylate is 701929-32-0.
What is the molecular formula of dimethyl 5-(2-hexanoylhydrazinecarbothioamido)-3-methylthiophene-2,4-dicarboxylate?
The molecular formula of dimethyl 5-(2-hexanoylhydrazinecarbothioamido)-3-methylthiophene-2,4-dicarboxylate is C16H23N3O5S2.
What is the molecular weight of dimethyl 5-(2-hexanoylhydrazinecarbothioamido)-3-methylthiophene-2,4-dicarboxylate?
The molecular weight of dimethyl 5-(2-hexanoylhydrazinecarbothioamido)-3-methylthiophene-2,4-dicarboxylate is 401.11 g/mol.
Where can I buy dimethyl 5-(2-hexanoylhydrazinecarbothioamido)-3-methylthiophene-2,4-dicarboxylate?
You can request a quote for dimethyl 5-(2-hexanoylhydrazinecarbothioamido)-3-methylthiophene-2,4-dicarboxylate 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-hexanoylhydrazinecarbothioamido)-3-methylthiophene-2,4-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for dimethyl 5-(2-hexanoylhydrazinecarbothioamido)-3-methylthiophene-2,4-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.