Einecs 261-295-1
TL;DR: Einecs 261-295-1 (CAS 58501-36-3) is a chemical compound with molecular formula C14H16Cl2N- and molecular weight 268.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,9S,13S)-5-chloro-N-methyltricyclo[7.3.1.02,7]trideca-2(7),3,5,10-tetraen-13-amine chloride
Also Known As: Silicon tin oxide, EINECS 261-295-1, (5alpha,9alpha,11S*)-(2-Chloro-5,6,9,10-tetrahydro-5,9-methanobenzocycloocten-11-yl)methylammonium chloride, (5alpha,9alpha,11S*)-[2-chloro-5,6,9,10-tetrahydro-5,9-methanobenzocycloocten-11-yl]methylammonium chloride
| Molecular Formula | C14H16Cl2N- |
|---|---|
| Molecular Weight | 268.07 g/mol |
| LogP | 0.1478 |
| Topological Polar Surface Area | 12.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 268.06598 |
| Heavy Atoms | 17 |
| Complexity | 441.8484 |
Chemical Identifiers
| CAS Number | 58501-36-3 |
|---|---|
| SMILES | CN[C@@H]1[C@@H]2CC=C[C@@H]1CC3=C2C=CC(=C3)Cl.[Cl-] |
Product Overview
Einecs 261-295-1 (CAS 58501-36-3), with molecular formula C14H16Cl2N- and molecular weight 268.07 g/mol. IUPAC: (1R,9S,13S)-5-chloro-N-methyltricyclo[7.3.1.02,7]trideca-2(7),3,5,10-tetraen-13-amine chloride.
Chemical Property Profile of Einecs 261-295-1
Property Insights of Einecs 261-295-1
The XLogP value of 0.1478 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Einecs 261-295-1. With a topological polar surface area (TPSA) of 12.03 Ų, Einecs 261-295-1 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Einecs 261-295-1 has 1 hydrogen bond donor(s) and 1 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 Einecs 261-295-1?
The CAS number of Einecs 261-295-1 is 58501-36-3.
What is the molecular formula of Einecs 261-295-1?
The molecular formula of Einecs 261-295-1 is C14H16Cl2N-.
What is the molecular weight of Einecs 261-295-1?
The molecular weight of Einecs 261-295-1 is 268.07 g/mol.
Where can I buy Einecs 261-295-1?
You can request a quote for Einecs 261-295-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Einecs 261-295-1?
Yes, KEHONG BIO provides custom synthesis services for Einecs 261-295-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.