Ethyl 2-(ethylcarbamothioylamino)-5,6,7,8-tetrahydroquinoline-3-carboxylate
TL;DR: Ethyl 2-(ethylcarbamothioylamino)-5,6,7,8-tetrahydroquinoline-3-carboxylate (CAS 843633-44-3) is a chemical compound with molecular formula C15H21N3O2S and molecular weight 307.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(ethylcarbamothioylamino)-5,6,7,8-tetrahydroquinoline-3-carboxylate
Also Known As: Ethyl 2-(3-ethylthioureido)-5,6,7,8-tetrahydroquinoline-3-carboxylate, ethyl 2-(ethylcarbamothioylamino)-5,6,7,8-tetrahydroquinoline-3-carboxylate, 2-(3-Ethyl-thioureido)-5,6,7,8-tetrahydro-quinoline-3-carboxylic acid ethyl ester, 2-(ethylthiocarbamoylamino)-5,6,7,8-tetrahydroquinoline-3-carboxylic acid ethyl ester, ethyl 2-[(ethylcarbamothioyl)amino]-5,6,7,8-tetrahydroquinoline-3-carboxylate
| Molecular Formula | C15H21N3O2S |
|---|---|
| Molecular Weight | 307.14 g/mol |
| LogP | 2.4434 |
| Topological Polar Surface Area | 63.25 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 307.13544 |
| Heavy Atoms | 21 |
| Complexity | 545.9654 |
Chemical Identifiers
| CAS Number | 843633-44-3 |
|---|---|
| SMILES | CCNC(=S)NC1=C(C=C2CCCCC2=N1)C(=O)OCC |
Product Overview
Ethyl 2-(ethylcarbamothioylamino)-5,6,7,8-tetrahydroquinoline-3-carboxylate (CAS 843633-44-3), with molecular formula C15H21N3O2S and molecular weight 307.14 g/mol. IUPAC: ethyl 2-(ethylcarbamothioylamino)-5,6,7,8-tetrahydroquinoline-3-carboxylate.
Chemical Property Profile of Ethyl 2-(ethylcarbamothioylamino)-5,6,7,8-tetrahydroquinoline-3-carboxylate
Property Insights of Ethyl 2-(ethylcarbamothioylamino)-5,6,7,8-tetrahydroquinoline-3-carboxylate
The XLogP value of 2.4434 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-(ethylcarbamothioylamino)-5,6,7,8-tetrahydroquinoline-3-carboxylate. The TPSA of 63.25 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-(ethylcarbamothioylamino)-5,6,7,8-tetrahydroquinoline-3-carboxylate. Following Lipinski's Rule of Five, Ethyl 2-(ethylcarbamothioylamino)-5,6,7,8-tetrahydroquinoline-3-carboxylate 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-(ethylcarbamothioylamino)-5,6,7,8-tetrahydroquinoline-3-carboxylate?
The CAS number of Ethyl 2-(ethylcarbamothioylamino)-5,6,7,8-tetrahydroquinoline-3-carboxylate is 843633-44-3.
What is the molecular formula of Ethyl 2-(ethylcarbamothioylamino)-5,6,7,8-tetrahydroquinoline-3-carboxylate?
The molecular formula of Ethyl 2-(ethylcarbamothioylamino)-5,6,7,8-tetrahydroquinoline-3-carboxylate is C15H21N3O2S.
What is the molecular weight of Ethyl 2-(ethylcarbamothioylamino)-5,6,7,8-tetrahydroquinoline-3-carboxylate?
The molecular weight of Ethyl 2-(ethylcarbamothioylamino)-5,6,7,8-tetrahydroquinoline-3-carboxylate is 307.14 g/mol.
Where can I buy Ethyl 2-(ethylcarbamothioylamino)-5,6,7,8-tetrahydroquinoline-3-carboxylate?
You can request a quote for Ethyl 2-(ethylcarbamothioylamino)-5,6,7,8-tetrahydroquinoline-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-(ethylcarbamothioylamino)-5,6,7,8-tetrahydroquinoline-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(ethylcarbamothioylamino)-5,6,7,8-tetrahydroquinoline-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.