Azabicyclane citrate
TL;DR: Azabicyclane citrate (CAS 24748-93-4) is a chemical compound with molecular formula C22H31NO8 and molecular weight 437.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxypropane-1,2,3-tricarboxylic acid;(1R,5S)-9-methoxy-3-methyl-9-phenyl-3-azabicyclo[3.3.1]nonane
Also Known As: Azabicyclane citrate, Azabicyclane, anazocine citrate, PROPANETRICARBOXYLATE (1:1), SID:134222939
| Molecular Formula | C22H31NO8 |
|---|---|
| Molecular Weight | 437.20 g/mol |
| LogP | 1.6415 |
| Topological Polar Surface Area | 145.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 437.20496 |
| Heavy Atoms | 31 |
| Complexity | 498.0 |
Chemical Identifiers
| CAS Number | 24748-93-4 |
|---|---|
| SMILES | CN1C[C@H]2CCC[C@@H](C1)C2(C3=CC=CC=C3)OC.C(C(=O)O)C(CC(=O)O)(C(=O)O)O |
| InChIKey | UZKDXESOJFBSJS-JXMYBXCISA-N |
Product Overview
Azabicyclane citrate (CAS 24748-93-4), with molecular formula C22H31NO8 and molecular weight 437.20 g/mol. IUPAC: 2-hydroxypropane-1,2,3-tricarboxylic acid;(1R,5S)-9-methoxy-3-methyl-9-phenyl-3-azabicyclo[3.3.1]nonane.
Chemical Property Profile of Azabicyclane citrate
Property Insights of Azabicyclane citrate
The XLogP value of 1.6415 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Azabicyclane citrate. The TPSA of 145.0 Ų indicates high polarity, suggesting Azabicyclane citrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Azabicyclane citrate has 4 hydrogen bond donor(s) and 9 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 Azabicyclane citrate?
The CAS number of Azabicyclane citrate is 24748-93-4.
What is the molecular formula of Azabicyclane citrate?
The molecular formula of Azabicyclane citrate is C22H31NO8.
What is the molecular weight of Azabicyclane citrate?
The molecular weight of Azabicyclane citrate is 437.20 g/mol.
Where can I buy Azabicyclane citrate?
You can request a quote for Azabicyclane citrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Azabicyclane citrate?
Yes, KEHONG BIO provides custom synthesis services for Azabicyclane citrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.