![Ethyl 2-[(phenylcarbamothioyl)amino]-5,6,7,8-tetrahydroquinoline-3-carboxylate structure](/static/products/351/351005-44-2.png)
Ethyl 2-[(phenylcarbamothioyl)amino]-5,6,7,8-tetrahydroquinoline-3-carboxylate
TL;DR: Ethyl 2-[(phenylcarbamothioyl)amino]-5,6,7,8-tetrahydroquinoline-3-carboxylate (CAS 351005-44-2) is a chemical compound with molecular formula C19H21N3O2S and molecular weight 355.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(phenylcarbamothioylamino)-5,6,7,8-tetrahydroquinoline-3-carboxylate
Also Known As: BAS 02287714, ethyl 2-[(phenylcarbamothioyl)amino]-5,6,7,8-tetrahydroquinoline-3-carboxylate, ethyl 2-(3-phenylthioureido)-5,6,7,8-tetrahydroquinoline-3-carboxylate, 2-(3-Phenyl-thioureido)-5,6,7,8-tetrahydro-quinoline-3-carboxylic acid ethyl ester, ethyl 2-(phenylcarbamothioylamino)-5,6,7,8-tetrahydroquinoline-3-carboxylate
| Molecular Formula | C19H21N3O2S |
|---|---|
| Molecular Weight | 355.14 g/mol |
| LogP | 3.946 |
| Topological Polar Surface Area | 63.25 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 355.13544 |
| Heavy Atoms | 25 |
| Complexity | 777.7387 |
Chemical Identifiers
| CAS Number | 351005-44-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=C2CCCCC2=C1)NC(=S)NC3=CC=CC=C3 |
Product Overview
Ethyl 2-[(phenylcarbamothioyl)amino]-5,6,7,8-tetrahydroquinoline-3-carboxylate (CAS 351005-44-2), with molecular formula C19H21N3O2S and molecular weight 355.14 g/mol. IUPAC: ethyl 2-(phenylcarbamothioylamino)-5,6,7,8-tetrahydroquinoline-3-carboxylate.
Chemical Property Profile of Ethyl 2-[(phenylcarbamothioyl)amino]-5,6,7,8-tetrahydroquinoline-3-carboxylate
Property Insights of Ethyl 2-[(phenylcarbamothioyl)amino]-5,6,7,8-tetrahydroquinoline-3-carboxylate
The XLogP value of 3.946 indicates that Ethyl 2-[(phenylcarbamothioyl)amino]-5,6,7,8-tetrahydroquinoline-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.25 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-[(phenylcarbamothioyl)amino]-5,6,7,8-tetrahydroquinoline-3-carboxylate. Following Lipinski's Rule of Five, Ethyl 2-[(phenylcarbamothioyl)amino]-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-[(phenylcarbamothioyl)amino]-5,6,7,8-tetrahydroquinoline-3-carboxylate?
The CAS number of Ethyl 2-[(phenylcarbamothioyl)amino]-5,6,7,8-tetrahydroquinoline-3-carboxylate is 351005-44-2.
What is the molecular formula of Ethyl 2-[(phenylcarbamothioyl)amino]-5,6,7,8-tetrahydroquinoline-3-carboxylate?
The molecular formula of Ethyl 2-[(phenylcarbamothioyl)amino]-5,6,7,8-tetrahydroquinoline-3-carboxylate is C19H21N3O2S.
What is the molecular weight of Ethyl 2-[(phenylcarbamothioyl)amino]-5,6,7,8-tetrahydroquinoline-3-carboxylate?
The molecular weight of Ethyl 2-[(phenylcarbamothioyl)amino]-5,6,7,8-tetrahydroquinoline-3-carboxylate is 355.14 g/mol.
Where can I buy Ethyl 2-[(phenylcarbamothioyl)amino]-5,6,7,8-tetrahydroquinoline-3-carboxylate?
You can request a quote for Ethyl 2-[(phenylcarbamothioyl)amino]-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-[(phenylcarbamothioyl)amino]-5,6,7,8-tetrahydroquinoline-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-[(phenylcarbamothioyl)amino]-5,6,7,8-tetrahydroquinoline-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.