Cyclodecanone,2-mercapto
TL;DR: Cyclodecanone,2-mercapto (CAS 4663-13-2) is a chemical compound with molecular formula C23H28ClN3O3 and molecular weight 429.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4R,5S)-1-(4-ethoxyphenyl)-5-phenyl-4-(piperazine-1-carbonyl)pyrrolidin-2-one;hydrochloride
Also Known As: Cyclodecanone,2-mercapto, Piperazine, 1-((1-(4-ethoxyphenyl)-5-oxo-2-phenyl-3-pyrrolidinyl)carbonyl)-, hydrochloride, cis-, (4r,5s)-1-(4-ethoxyphenyl)-5-phenyl-4-(piperazin-1-ylcarbonyl)pyrrolidin-2-one hydrochloride(1:1), cis-(p-Ethoxyphenyl)-1 oxo-2 piperazinocarbonyl-4 phenyl-5 pyrrolidine chlorhydrate [French], cis-(p-Ethoxyphenyl)-1 oxo-2 piperazinocarbonyl-4 phenyl-5 pyrrolidine chlorhydrate
| Molecular Formula | C23H28ClN3O3 |
|---|---|
| Molecular Weight | 429.18 g/mol |
| LogP | 3.0331 |
| Topological Polar Surface Area | 61.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 429.18192 |
| Heavy Atoms | 30 |
| Complexity | 564.0 |
Chemical Identifiers
| CAS Number | 4663-13-2 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)N2[C@@H]([C@@H](CC2=O)C(=O)N3CCNCC3)C4=CC=CC=C4.Cl |
| InChIKey | MJXMHGWDKKVVSA-BNBNXSKYSA-N |
Product Overview
Cyclodecanone,2-mercapto (CAS 4663-13-2), with molecular formula C23H28ClN3O3 and molecular weight 429.18 g/mol. IUPAC: (4R,5S)-1-(4-ethoxyphenyl)-5-phenyl-4-(piperazine-1-carbonyl)pyrrolidin-2-one;hydrochloride.
Chemical Property Profile of Cyclodecanone,2-mercapto
Property Insights of Cyclodecanone,2-mercapto
The XLogP value of 3.0331 indicates that Cyclodecanone,2-mercapto is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Cyclodecanone,2-mercapto. Following Lipinski's Rule of Five, Cyclodecanone,2-mercapto 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 Cyclodecanone,2-mercapto?
The CAS number of Cyclodecanone,2-mercapto is 4663-13-2.
What is the molecular formula of Cyclodecanone,2-mercapto?
The molecular formula of Cyclodecanone,2-mercapto is C23H28ClN3O3.
What is the molecular weight of Cyclodecanone,2-mercapto?
The molecular weight of Cyclodecanone,2-mercapto is 429.18 g/mol.
Where can I buy Cyclodecanone,2-mercapto?
You can request a quote for Cyclodecanone,2-mercapto directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclodecanone,2-mercapto?
Yes, KEHONG BIO provides custom synthesis services for Cyclodecanone,2-mercapto and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.