金缕梅鞣素
TL;DR: 金缕梅鞣素 (CAS 469-32-9) is a chemical compound with molecular formula C18H26ClN3O3 and molecular weight 367.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
金缕梅鞣素
(4R,5R)-1-(4-ethoxyphenyl)-5-methyl-4-(piperazine-1-carbonyl)pyrrolidin-2-one;hydrochloride
Also Known As: KST-1A4929, -1- -5-methyl-4- pyrrolidin-2-onehydrochloride, (4r,5r)-1-(4-ethoxyphenyl)-5-methyl-4-(piperazin-1-ylcarbonyl)pyrrolidin-2-one hydrochloride(1:1), Piperazine, 1-((1-(4-ethoxyphenyl)-2-methyl-5-oxo-3-pyrrolidinyl)carbonyl)-, hydrochloride, cis-, cis-p-Ethoxyphenyl-1 oxo-2 piperazinocarbonyl-4 methyl-5 pyrrolidine chlorhydrate [French]
| Molecular Formula | C18H26ClN3O3 |
|---|---|
| Molecular Weight | 367.17 g/mol |
| LogP | 1.6803 |
| Topological Polar Surface Area | 61.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 367.16626 |
| Heavy Atoms | 25 |
| Complexity | 456.0 |
Chemical Identifiers
| CAS Number | 469-32-9 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)N2[C@@H]([C@@H](CC2=O)C(=O)N3CCNCC3)C.Cl |
| InChIKey | SUOVRPFWBRAKAO-OALZAMAHSA-N |
Product Overview
金缕梅鞣素 (CAS 469-32-9), with molecular formula C18H26ClN3O3 and molecular weight 367.17 g/mol. IUPAC: (4R,5R)-1-(4-ethoxyphenyl)-5-methyl-4-(piperazine-1-carbonyl)pyrrolidin-2-one;hydrochloride.
Chemical Property Profile of 金缕梅鞣素
Property Insights of 金缕梅鞣素
The XLogP value of 1.6803 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 金缕梅鞣素. The TPSA of 61.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 金缕梅鞣素. Following Lipinski's Rule of Five, 金缕梅鞣素 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 金缕梅鞣素?
The CAS number of 金缕梅鞣素 is 469-32-9.
What is the molecular formula of 金缕梅鞣素?
The molecular formula of 金缕梅鞣素 is C18H26ClN3O3.
What is the molecular weight of 金缕梅鞣素?
The molecular weight of 金缕梅鞣素 is 367.17 g/mol.
Where can I buy 金缕梅鞣素?
You can request a quote for 金缕梅鞣素 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 金缕梅鞣素?
Yes, KEHONG BIO provides custom synthesis services for 金缕梅鞣素 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.