CRL 40060
TL;DR: CRL 40060 (CAS 59264-29-8) is a chemical compound with molecular formula C15H23ClN2O3S and molecular weight 346.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[2-(benzenesulfinyl)ethyl]piperazine-1-carboxylate;hydrochloride
Also Known As: CRL 40060, Ethyl 4-(2-(phenylsulfinyl)ethyl)-1-piperazinecarboxylate monohydrochloride, N-(2-(Phenylsulfinyl)ethyl)-N'-carboethoxypiperazine hydrochloride, 1-Piperazinecarboxylic acid, 4-(2-(phenylsulfinyl)ethyl)-, ethyl ester, monohydrochloride, 4-(2-(phenylsulfinyl)ethyl)-1-piperazinecarboxylic acid ethyl ester hydrochloride
| Molecular Formula | C15H23ClN2O3S |
|---|---|
| Molecular Weight | 346.11 g/mol |
| LogP | 1.9901 |
| Topological Polar Surface Area | 49.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 346.1118 |
| Heavy Atoms | 22 |
| Complexity | 478.93573 |
Chemical Identifiers
| CAS Number | 59264-29-8 |
|---|---|
| SMILES | CCOC(=O)N1CCN(CC1)CCS(=O)C2=CC=CC=C2.Cl |
Product Overview
CRL 40060 (CAS 59264-29-8), with molecular formula C15H23ClN2O3S and molecular weight 346.11 g/mol. IUPAC: ethyl 4-[2-(benzenesulfinyl)ethyl]piperazine-1-carboxylate;hydrochloride.
Chemical Property Profile of CRL 40060
Property Insights of CRL 40060
The XLogP value of 1.9901 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CRL 40060. With a topological polar surface area (TPSA) of 49.85 Ų, CRL 40060 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, CRL 40060 has 0 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 CRL 40060?
The CAS number of CRL 40060 is 59264-29-8.
What is the molecular formula of CRL 40060?
The molecular formula of CRL 40060 is C15H23ClN2O3S.
What is the molecular weight of CRL 40060?
The molecular weight of CRL 40060 is 346.11 g/mol.
Where can I buy CRL 40060?
You can request a quote for CRL 40060 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CRL 40060?
Yes, KEHONG BIO provides custom synthesis services for CRL 40060 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.