CB 814
TL;DR: CB 814 (CAS 3770-85-2) is a chemical compound with molecular formula C21H32Cl2N2O and molecular weight 398.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-chloro-4-cyclohexylphenyl)-1-(4-methylpiperazin-1-yl)butan-1-one;hydrochloride
Also Known As: 1-(4-4-methylpiperazinehydrochloride, 1-(4- -4-methylpiperazinehydrochloride, Piperazine, 1-(4-(3-chloro-4-cyclohexylphenyl)-1-oxobutyl)-4-methyl-, monohydrochloride, 1-(4-(3-Chloro-4-cyclohexylphenyl)-1-oxobutyl)-4-methylpiperazine hydrochloride, 4-(3-chloro-4-cyclohexylphenyl)-1-(4-methylpiperazin-1-yl)butan-1-one hydrochloride(1:1)
| Molecular Formula | C21H32Cl2N2O |
|---|---|
| Molecular Weight | 398.19 g/mol |
| LogP | 4.9062 |
| Topological Polar Surface Area | 23.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 398.18918 |
| Heavy Atoms | 26 |
| Complexity | 416.0 |
Chemical Identifiers
| CAS Number | 3770-85-2 |
|---|---|
| SMILES | CN1CCN(CC1)C(=O)CCCC2=CC(=C(C=C2)C3CCCCC3)Cl.Cl |
| InChIKey | RNPACYNCZSNAMK-UHFFFAOYSA-N |
Product Overview
CB 814 (CAS 3770-85-2), with molecular formula C21H32Cl2N2O and molecular weight 398.19 g/mol. IUPAC: 4-(3-chloro-4-cyclohexylphenyl)-1-(4-methylpiperazin-1-yl)butan-1-one;hydrochloride.
Chemical Property Profile of CB 814
Property Insights of CB 814
The XLogP value of 4.9062 indicates that CB 814 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.6 Ų, CB 814 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, CB 814 has 1 hydrogen bond donor(s) and 2 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 CB 814?
The CAS number of CB 814 is 3770-85-2.
What is the molecular formula of CB 814?
The molecular formula of CB 814 is C21H32Cl2N2O.
What is the molecular weight of CB 814?
The molecular weight of CB 814 is 398.19 g/mol.
Where can I buy CB 814?
You can request a quote for CB 814 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CB 814?
Yes, KEHONG BIO provides custom synthesis services for CB 814 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.