RefChem:233571
TL;DR: RefChem:233571 (CAS 89663-22-9) is a chemical compound with molecular formula C13H22ClN3O2S and molecular weight 319.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperazine-1-carboxylate;hydrochloride
Also Known As: 4-(2-(4-Methyl-5-thiazolyl)ethyl)-1-piperazinecarboxylic acid ethyl ester hydrochloride, 1-Piperazinecarboxylic acid, 4-(2-(4-methyl-5-thiazolyl)ethyl)-, ethyl ester, monohydrochloride, Ethyl 4-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperazine-1-carboxylate--hydrogen chloride (1/1), ethyl 4-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperazine-1-carboxylate hydrochloride, RefChem:233571
| Molecular Formula | C13H22ClN3O2S |
|---|---|
| Molecular Weight | 319.11 g/mol |
| LogP | 2.18992 |
| Topological Polar Surface Area | 45.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 319.11212 |
| Heavy Atoms | 20 |
| Complexity | 419.5037 |
Chemical Identifiers
| CAS Number | 89663-22-9 |
|---|---|
| SMILES | CCOC(=O)N1CCN(CC1)CCC2=C(N=CS2)C.Cl |
Product Overview
RefChem:233571 (CAS 89663-22-9), with molecular formula C13H22ClN3O2S and molecular weight 319.11 g/mol. IUPAC: ethyl 4-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperazine-1-carboxylate;hydrochloride.
Chemical Property Profile of RefChem:233571
Property Insights of RefChem:233571
The XLogP value of 2.18992 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:233571. With a topological polar surface area (TPSA) of 45.67 Ų, RefChem:233571 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:233571 has 0 hydrogen bond donor(s) and 5 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 RefChem:233571?
The CAS number of RefChem:233571 is 89663-22-9.
What is the molecular formula of RefChem:233571?
The molecular formula of RefChem:233571 is C13H22ClN3O2S.
What is the molecular weight of RefChem:233571?
The molecular weight of RefChem:233571 is 319.11 g/mol.
Where can I buy RefChem:233571?
You can request a quote for RefChem:233571 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:233571?
Yes, KEHONG BIO provides custom synthesis services for RefChem:233571 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.