Rodocaine
TL;DR: Rodocaine (CAS 38821-80-6) is a chemical compound with molecular formula C18H25ClN2O and molecular weight 320.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4aR,7aS)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl]-N-(2-chloro-6-methylphenyl)propanamide
Also Known As: Rodocaine, Rodocainum, Rodocaina, Rodocain, (+)-Rodocaine
| Molecular Formula | C18H25ClN2O |
|---|---|
| Molecular Weight | 320.17 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 32.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 320.16553 |
| Heavy Atoms | 22 |
| Complexity | 389.0 |
Chemical Identifiers
| CAS Number | 38821-80-6 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)Cl)NC(=O)CCN2CCC[C@@H]3[C@@H]2CCC3 |
| InChIKey | ICLIXBRUSBYXEV-ZBFHGGJFSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Rodocaine (CAS 38821-80-6), with molecular formula C18H25ClN2O and molecular weight 320.17 g/mol. IUPAC: 3-[(4aR,7aS)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl]-N-(2-chloro-6-methylphenyl)propanamide.
Chemical Property Profile of Rodocaine
Property Insights of Rodocaine
The XLogP value of 3.7 indicates that Rodocaine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.3 Ų, Rodocaine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Rodocaine 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 Rodocaine?
The CAS number of Rodocaine is 38821-80-6.
What is the molecular formula of Rodocaine?
The molecular formula of Rodocaine is C18H25ClN2O.
What is the molecular weight of Rodocaine?
The molecular weight of Rodocaine is 320.17 g/mol.
Where can I buy Rodocaine?
You can request a quote for Rodocaine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Rodocaine?
Yes, KEHONG BIO provides custom synthesis services for Rodocaine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.