![ethyl 2-[(Z)-N-(carbamothioylamino)-C-methylcarbonimidoyl]heptanoate structure](/static/products/876/87610-72-8.png)
ethyl 2-[(Z)-N-(carbamothioylamino)-C-methylcarbonimidoyl]heptanoate
TL;DR: ethyl 2-[(Z)-N-(carbamothioylamino)-C-methylcarbonimidoyl]heptanoate (CAS 87610-72-8) is a chemical compound with molecular formula C12H23N3O2S and molecular weight 273.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(Z)-N-(carbamothioylamino)-C-methylcarbonimidoyl]heptanoate
Also Known As: ethyl 2-[(Z)-N-(carbamothioylamino)-C-methylcarbonimidoyl]heptanoate, Ethyl 2-[(1Z)-1-(2-carbamothioylhydrazinylidene)ethyl]heptanoate
| Molecular Formula | C12H23N3O2S |
|---|---|
| Molecular Weight | 273.15 g/mol |
| LogP | 1.9551 |
| Topological Polar Surface Area | 76.71 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 273.1511 |
| Heavy Atoms | 18 |
| Complexity | 305.69766 |
Chemical Identifiers
| CAS Number | 87610-72-8 |
|---|---|
| SMILES | CCCCCC(/C(=N\NC(=S)N)/C)C(=O)OCC |
Product Overview
ethyl 2-[(Z)-N-(carbamothioylamino)-C-methylcarbonimidoyl]heptanoate (CAS 87610-72-8), with molecular formula C12H23N3O2S and molecular weight 273.15 g/mol. IUPAC: ethyl 2-[(Z)-N-(carbamothioylamino)-C-methylcarbonimidoyl]heptanoate.
Chemical Property Profile of ethyl 2-[(Z)-N-(carbamothioylamino)-C-methylcarbonimidoyl]heptanoate
Property Insights of ethyl 2-[(Z)-N-(carbamothioylamino)-C-methylcarbonimidoyl]heptanoate
The XLogP value of 1.9551 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 2-[(Z)-N-(carbamothioylamino)-C-methylcarbonimidoyl]heptanoate. The TPSA of 76.71 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-[(Z)-N-(carbamothioylamino)-C-methylcarbonimidoyl]heptanoate. Following Lipinski's Rule of Five, ethyl 2-[(Z)-N-(carbamothioylamino)-C-methylcarbonimidoyl]heptanoate has 2 hydrogen bond donor(s) and 4 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 2-[(Z)-N-(carbamothioylamino)-C-methylcarbonimidoyl]heptanoate?
The CAS number of ethyl 2-[(Z)-N-(carbamothioylamino)-C-methylcarbonimidoyl]heptanoate is 87610-72-8.
What is the molecular formula of ethyl 2-[(Z)-N-(carbamothioylamino)-C-methylcarbonimidoyl]heptanoate?
The molecular formula of ethyl 2-[(Z)-N-(carbamothioylamino)-C-methylcarbonimidoyl]heptanoate is C12H23N3O2S.
What is the molecular weight of ethyl 2-[(Z)-N-(carbamothioylamino)-C-methylcarbonimidoyl]heptanoate?
The molecular weight of ethyl 2-[(Z)-N-(carbamothioylamino)-C-methylcarbonimidoyl]heptanoate is 273.15 g/mol.
Where can I buy ethyl 2-[(Z)-N-(carbamothioylamino)-C-methylcarbonimidoyl]heptanoate?
You can request a quote for ethyl 2-[(Z)-N-(carbamothioylamino)-C-methylcarbonimidoyl]heptanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-[(Z)-N-(carbamothioylamino)-C-methylcarbonimidoyl]heptanoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-[(Z)-N-(carbamothioylamino)-C-methylcarbonimidoyl]heptanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.