Cilobamin mesilat
TL;DR: Cilobamin mesilat (CAS 69429-85-2) is a chemical compound with molecular formula C18H27Cl2NO4S and molecular weight 423.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3S)-2-(3,4-dichlorophenyl)-3-(propan-2-ylamino)bicyclo[2.2.2]octan-2-ol;methanesulfonic acid
Also Known As: Cilobamin mesilat, CILOBAMINE MESYLATE, Cilobamine mesylate [USAN], RMI 81,182EF, cis-2-(3,4-Dichlorophenyl)-3-(isopropylamino)bicyclo(2.2.2)octan-2-ol methanesulfonate
| Molecular Formula | C18H27Cl2NO4S |
|---|---|
| Molecular Weight | 423.10 g/mol |
| LogP | 3.87 |
| Topological Polar Surface Area | 95.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 423.1038 |
| Heavy Atoms | 26 |
| Complexity | 462.0 |
Chemical Identifiers
| CAS Number | 69429-85-2 |
|---|---|
| SMILES | CC(C)N[C@H]1C2CCC([C@@]1(C3=CC(=C(C=C3)Cl)Cl)O)CC2.CS(=O)(=O)O |
| InChIKey | VALAKNBZUXDQCX-ZBCJGHNPSA-N |
Product Overview
Cilobamin mesilat (CAS 69429-85-2), with molecular formula C18H27Cl2NO4S and molecular weight 423.10 g/mol. IUPAC: (2S,3S)-2-(3,4-dichlorophenyl)-3-(propan-2-ylamino)bicyclo[2.2.2]octan-2-ol;methanesulfonic acid.
Chemical Property Profile of Cilobamin mesilat
Property Insights of Cilobamin mesilat
The XLogP value of 3.87 indicates that Cilobamin mesilat is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Cilobamin mesilat. Following Lipinski's Rule of Five, Cilobamin mesilat has 3 hydrogen bond donor(s) and 5 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 Cilobamin mesilat?
The CAS number of Cilobamin mesilat is 69429-85-2.
What is the molecular formula of Cilobamin mesilat?
The molecular formula of Cilobamin mesilat is C18H27Cl2NO4S.
What is the molecular weight of Cilobamin mesilat?
The molecular weight of Cilobamin mesilat is 423.10 g/mol.
Where can I buy Cilobamin mesilat?
You can request a quote for Cilobamin mesilat directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cilobamin mesilat?
Yes, KEHONG BIO provides custom synthesis services for Cilobamin mesilat and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.