Calmactin
TL;DR: Calmactin (CAS 120635-72-5) is a chemical compound with molecular formula C20H22ClN3O and molecular weight 355.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(12R)-12-[(2-methylimidazol-1-yl)methyl]-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-5(16),6,8,10(15)-tetraen-11-one;hydrochloride
Also Known As: Calmactin, Cilansetron HCl, Cilansetron hydrochloride, Cilansetron hydrochloride [MI], Cilansetron hydrochloride anhydrous
| Molecular Formula | C20H22ClN3O |
|---|---|
| Molecular Weight | 355.15 g/mol |
| LogP | 3.95952 |
| Topological Polar Surface Area | 39.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 355.14514 |
| Heavy Atoms | 25 |
| Complexity | 968.8855 |
Chemical Identifiers
| CAS Number | 120635-72-5 |
|---|---|
| SMILES | CC1=NC=CN1C[C@H]2CCC3=C(C2=O)C4=CC=CC5=C4N3CCC5.Cl |
Product Overview
Calmactin (CAS 120635-72-5), with molecular formula C20H22ClN3O and molecular weight 355.15 g/mol. IUPAC: (12R)-12-[(2-methylimidazol-1-yl)methyl]-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-5(16),6,8,10(15)-tetraen-11-one;hydrochloride.
Chemical Property Profile of Calmactin
Property Insights of Calmactin
The XLogP value of 3.95952 indicates that Calmactin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.82 Ų, Calmactin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Calmactin 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 Calmactin?
The CAS number of Calmactin is 120635-72-5.
What is the molecular formula of Calmactin?
The molecular formula of Calmactin is C20H22ClN3O.
What is the molecular weight of Calmactin?
The molecular weight of Calmactin is 355.15 g/mol.
Where can I buy Calmactin?
You can request a quote for Calmactin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Calmactin?
Yes, KEHONG BIO provides custom synthesis services for Calmactin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.