![ethyl 2-[N-(carbamothioylamino)-C-methylcarbonimidoyl]hexanoate structure](/static/products/876/87610-71-7.png)
ethyl 2-[N-(carbamothioylamino)-C-methylcarbonimidoyl]hexanoate
TL;DR: ethyl 2-[N-(carbamothioylamino)-C-methylcarbonimidoyl]hexanoate (CAS 87610-71-7) is a chemical compound with molecular formula C11H21N3O2S and molecular weight 259.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[N-(carbamothioylamino)-C-methylcarbonimidoyl]hexanoate
Also Known As: ethyl 2-[(Z)-N-(carbamothioylamino)-C-methylcarbonimidoyl]he, ethyl 2-[N-(carbamothioylamino)-C-methylcarbonimidoyl]hexanoate
| Molecular Formula | C11H21N3O2S |
|---|---|
| Molecular Weight | 259.14 g/mol |
| LogP | 1.565 |
| Topological Polar Surface Area | 76.71 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 259.13544 |
| Heavy Atoms | 17 |
| Complexity | 292.44113 |
Chemical Identifiers
| CAS Number | 87610-71-7 |
|---|---|
| SMILES | CCCCC(C(=NNC(=S)N)C)C(=O)OCC |
Product Overview
ethyl 2-[N-(carbamothioylamino)-C-methylcarbonimidoyl]hexanoate (CAS 87610-71-7), with molecular formula C11H21N3O2S and molecular weight 259.14 g/mol. IUPAC: ethyl 2-[N-(carbamothioylamino)-C-methylcarbonimidoyl]hexanoate.
Chemical Property Profile of ethyl 2-[N-(carbamothioylamino)-C-methylcarbonimidoyl]hexanoate
Property Insights of ethyl 2-[N-(carbamothioylamino)-C-methylcarbonimidoyl]hexanoate
The XLogP value of 1.565 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 2-[N-(carbamothioylamino)-C-methylcarbonimidoyl]hexanoate. The TPSA of 76.71 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-[N-(carbamothioylamino)-C-methylcarbonimidoyl]hexanoate. Following Lipinski's Rule of Five, ethyl 2-[N-(carbamothioylamino)-C-methylcarbonimidoyl]hexanoate 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-[N-(carbamothioylamino)-C-methylcarbonimidoyl]hexanoate?
The CAS number of ethyl 2-[N-(carbamothioylamino)-C-methylcarbonimidoyl]hexanoate is 87610-71-7.
What is the molecular formula of ethyl 2-[N-(carbamothioylamino)-C-methylcarbonimidoyl]hexanoate?
The molecular formula of ethyl 2-[N-(carbamothioylamino)-C-methylcarbonimidoyl]hexanoate is C11H21N3O2S.
What is the molecular weight of ethyl 2-[N-(carbamothioylamino)-C-methylcarbonimidoyl]hexanoate?
The molecular weight of ethyl 2-[N-(carbamothioylamino)-C-methylcarbonimidoyl]hexanoate is 259.14 g/mol.
Where can I buy ethyl 2-[N-(carbamothioylamino)-C-methylcarbonimidoyl]hexanoate?
You can request a quote for ethyl 2-[N-(carbamothioylamino)-C-methylcarbonimidoyl]hexanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-[N-(carbamothioylamino)-C-methylcarbonimidoyl]hexanoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-[N-(carbamothioylamino)-C-methylcarbonimidoyl]hexanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.