Einecs 227-618-5
TL;DR: Einecs 227-618-5 (CAS 5908-95-2) is a chemical compound with molecular formula C24H29NO6 and molecular weight 427.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxybenzoic acid;(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-hydroxy-2-phenylpropanoate
Also Known As: Atropine salicylate, 2-hydroxybenzoic acid,(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-hydroxy-2-phenylpropanoate, 2-Hydroxybenzoic acid--8-methyl-8-azabicyclo[3.2.1]octan-3-yl 3-hydroxy-2-phenylpropanoate (1/1), 2-hydroxybenzoic acid; (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-hydroxy-2-phenylpropanoate, Benzeneacetic acid, alpha-(hydroxymethyl)-, (3-endo)-8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester, 2-hydroxybenzoate (salt)
| Molecular Formula | C24H29NO6 |
|---|---|
| Molecular Weight | 427.20 g/mol |
| LogP | 3.02 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 427.1995 |
| Heavy Atoms | 31 |
| Complexity | 486.0 |
Chemical Identifiers
| CAS Number | 5908-95-2 |
|---|---|
| SMILES | CN1C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3.C1=CC=C(C(=C1)C(=O)O)O |
| InChIKey | IZZLGHLOPJMTHW-UHFFFAOYSA-N |
Product Overview
Einecs 227-618-5 (CAS 5908-95-2), with molecular formula C24H29NO6 and molecular weight 427.20 g/mol. IUPAC: 2-hydroxybenzoic acid;(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-hydroxy-2-phenylpropanoate.
Chemical Property Profile of Einecs 227-618-5
Property Insights of Einecs 227-618-5
The XLogP value of 3.02 indicates that Einecs 227-618-5 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Einecs 227-618-5. Following Lipinski's Rule of Five, Einecs 227-618-5 has 3 hydrogen bond donor(s) and 7 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 227-618-5?
The CAS number of Einecs 227-618-5 is 5908-95-2.
What is the molecular formula of Einecs 227-618-5?
The molecular formula of Einecs 227-618-5 is C24H29NO6.
What is the molecular weight of Einecs 227-618-5?
The molecular weight of Einecs 227-618-5 is 427.20 g/mol.
Where can I buy Einecs 227-618-5?
You can request a quote for Einecs 227-618-5 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Einecs 227-618-5?
Yes, KEHONG BIO provides custom synthesis services for Einecs 227-618-5 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.