ethyl N-[4-(ethoxycarbonylcarbamothioylamino)-1,5-dimethylpy
TL;DR: ethyl N-[4-(ethoxycarbonylcarbamothioylamino)-1,5-dimethylpy (CAS 72082-35-0) is a chemical compound with molecular formula C14H20N4O4S2 and molecular weight 372.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-[4-(ethoxycarbonylcarbamothioylamino)-1,5-dimethylpyrrole-2-carbothioyl]carbamate
Also Known As: ethyl N-[4-(ethoxycarbonylcarbamothioylamino)-1,5-dimethylpy, Ethyl (4-{[(ethoxycarbonyl)carbamothioyl]amino}-1,5-dimethyl-1H-pyrrole-2-carbothioyl)carbamate, ethyl N-[4-(ethoxycarbonylcarbamothioylamino)-1,5-dimethylpyrrole-2-carbothioyl]carbamate
| Molecular Formula | C14H20N4O4S2 |
|---|---|
| Molecular Weight | 372.09 g/mol |
| LogP | 2.19802 |
| Topological Polar Surface Area | 93.62 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 372.0926 |
| Heavy Atoms | 24 |
| Complexity | 657.44476 |
Chemical Identifiers
| CAS Number | 72082-35-0 |
|---|---|
| SMILES | CCOC(=O)NC(=S)C1=CC(=C(N1C)C)NC(=S)NC(=O)OCC |
Product Overview
ethyl N-[4-(ethoxycarbonylcarbamothioylamino)-1,5-dimethylpy (CAS 72082-35-0), with molecular formula C14H20N4O4S2 and molecular weight 372.09 g/mol. IUPAC: ethyl N-[4-(ethoxycarbonylcarbamothioylamino)-1,5-dimethylpyrrole-2-carbothioyl]carbamate.
Chemical Property Profile of ethyl N-[4-(ethoxycarbonylcarbamothioylamino)-1,5-dimethylpy
Property Insights of ethyl N-[4-(ethoxycarbonylcarbamothioylamino)-1,5-dimethylpy
The XLogP value of 2.19802 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl N-[4-(ethoxycarbonylcarbamothioylamino)-1,5-dimethylpy. The TPSA of 93.62 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl N-[4-(ethoxycarbonylcarbamothioylamino)-1,5-dimethylpy. Following Lipinski's Rule of Five, ethyl N-[4-(ethoxycarbonylcarbamothioylamino)-1,5-dimethylpy has 3 hydrogen bond donor(s) and 6 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 ethyl N-[4-(ethoxycarbonylcarbamothioylamino)-1,5-dimethylpy?
The CAS number of ethyl N-[4-(ethoxycarbonylcarbamothioylamino)-1,5-dimethylpy is 72082-35-0.
What is the molecular formula of ethyl N-[4-(ethoxycarbonylcarbamothioylamino)-1,5-dimethylpy?
The molecular formula of ethyl N-[4-(ethoxycarbonylcarbamothioylamino)-1,5-dimethylpy is C14H20N4O4S2.
What is the molecular weight of ethyl N-[4-(ethoxycarbonylcarbamothioylamino)-1,5-dimethylpy?
The molecular weight of ethyl N-[4-(ethoxycarbonylcarbamothioylamino)-1,5-dimethylpy is 372.09 g/mol.
Where can I buy ethyl N-[4-(ethoxycarbonylcarbamothioylamino)-1,5-dimethylpy?
You can request a quote for ethyl N-[4-(ethoxycarbonylcarbamothioylamino)-1,5-dimethylpy directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl N-[4-(ethoxycarbonylcarbamothioylamino)-1,5-dimethylpy?
Yes, KEHONG BIO provides custom synthesis services for ethyl N-[4-(ethoxycarbonylcarbamothioylamino)-1,5-dimethylpy and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.