Cilobradine
TL;DR: Cilobradine (CAS 147541-45-5) is a chemical compound with molecular formula C28H38N2O5 and molecular weight 482.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[(3R)-1-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-3-yl]methyl]-7,8-dimethoxy-2,5-dihydro-1H-3-benzazepin-4-one
Also Known As: Cilobradine, DK-AH269, DK-AH-269, 3-({1-[2-(3,4-Dimethoxyphenyl)ethyl]piperidin-3-yl}methyl)-7,8-dimethoxy-1,3,4,5-tetrahydro-2H-3-benzazepin-2-one, 3-[[(3R)-1-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-3-yl]methyl]-7,8-dimethoxy-2,5-dihydro-1H-3-benzazepin-4-one
| Molecular Formula | C28H38N2O5 |
|---|---|
| Molecular Weight | 482.28 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 60.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 482.27808 |
| Heavy Atoms | 35 |
| Complexity | 663.0 |
Chemical Identifiers
| CAS Number | 147541-45-5 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CCN2CCC[C@H](C2)CN3CCC4=CC(=C(C=C4CC3=O)OC)OC)OC |
| InChIKey | OBUFMJDDZTXJPY-OAQYLSRUSA-N |
Product Overview
Cilobradine (CAS 147541-45-5), with molecular formula C28H38N2O5 and molecular weight 482.28 g/mol. IUPAC: 3-[[(3R)-1-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-3-yl]methyl]-7,8-dimethoxy-2,5-dihydro-1H-3-benzazepin-4-one.
Chemical Property Profile of Cilobradine
Property Insights of Cilobradine
The XLogP value of 4.0 indicates that Cilobradine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Cilobradine. Following Lipinski's Rule of Five, Cilobradine has 0 hydrogen bond donor(s) and 6 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 Cilobradine?
The CAS number of Cilobradine is 147541-45-5.
What is the molecular formula of Cilobradine?
The molecular formula of Cilobradine is C28H38N2O5.
What is the molecular weight of Cilobradine?
The molecular weight of Cilobradine is 482.28 g/mol.
Where can I buy Cilobradine?
You can request a quote for Cilobradine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cilobradine?
Yes, KEHONG BIO provides custom synthesis services for Cilobradine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.