CB 813
TL;DR: CB 813 (CAS 37710-64-8) is a chemical compound with molecular formula C20H28ClNO2 and molecular weight 349.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-chloro-4-cyclohexylphenyl)-1-morpholin-4-ylbutan-1-one
Also Known As: CB 813, Morpholine, 4-(4-(3-chloro-4-cyclohexylphenyl)-1-oxobutyl)-, 4-(3-chloro-4-cyclohexylphenyl)-1-(morpholin-4-yl)butan-1-one, 4-(4-(3-Chloro-4-cyclohexylphenyl)-1-oxobutyl)morpholine, 4-(3-chloro-4-cyclohexylphenyl)-1-morpholin-4-ylbutan-1-one
| Molecular Formula | C20H28ClNO2 |
|---|---|
| Molecular Weight | 349.18 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 349.18085 |
| Heavy Atoms | 24 |
| Complexity | 391.0 |
Chemical Identifiers
| CAS Number | 37710-64-8 |
|---|---|
| SMILES | C1CCC(CC1)C2=C(C=C(C=C2)CCCC(=O)N3CCOCC3)Cl |
| InChIKey | GCECPNQPPJYYOR-UHFFFAOYSA-N |
Product Overview
CB 813 (CAS 37710-64-8), with molecular formula C20H28ClNO2 and molecular weight 349.18 g/mol. IUPAC: 4-(3-chloro-4-cyclohexylphenyl)-1-morpholin-4-ylbutan-1-one.
Chemical Property Profile of CB 813
Property Insights of CB 813
The XLogP value of 4.8 indicates that CB 813 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, CB 813 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, CB 813 has 0 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 813?
The CAS number of CB 813 is 37710-64-8.
What is the molecular formula of CB 813?
The molecular formula of CB 813 is C20H28ClNO2.
What is the molecular weight of CB 813?
The molecular weight of CB 813 is 349.18 g/mol.
Where can I buy CB 813?
You can request a quote for CB 813 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CB 813?
Yes, KEHONG BIO provides custom synthesis services for CB 813 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.