樟柳碱
TL;DR: 樟柳碱 (CAS 52646-92-1) is a chemical compound with molecular formula C17H21NO5 and molecular weight 319.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
樟柳碱
[(1R,2S,4R,5S)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl] (2S)-2,3-dihydroxy-2-phenylpropanoate
Also Known As: anisodine, 8054AH, [(1R,2S,4R,5S)-9-Methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl] (2S)-2,3-dihydroxy-2-phenylpropanoate
| Molecular Formula | C17H21NO5 |
|---|---|
| Molecular Weight | 319.14 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 82.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 319.14197 |
| Heavy Atoms | 23 |
| Complexity | 462.0 |
Chemical Identifiers
| CAS Number | 52646-92-1 |
|---|---|
| SMILES | CN1[C@@H]2CC(C[C@H]1[C@@H]3[C@H]2O3)OC(=O)[C@@](CO)(C4=CC=CC=C4)O |
| InChIKey | JEJREKXHLFEVHN-VVQNWZRJSA-N |
Product Overview
樟柳碱 (CAS 52646-92-1), with molecular formula C17H21NO5 and molecular weight 319.14 g/mol. IUPAC: [(1R,2S,4R,5S)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl] (2S)-2,3-dihydroxy-2-phenylpropanoate.
Chemical Property Profile of 樟柳碱
Property Insights of 樟柳碱
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 樟柳碱. The TPSA of 82.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 樟柳碱. Following Lipinski's Rule of Five, 樟柳碱 has 2 hydrogen bond donor(s) and 6 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 樟柳碱?
The CAS number of 樟柳碱 is 52646-92-1.
What is the molecular formula of 樟柳碱?
The molecular formula of 樟柳碱 is C17H21NO5.
What is the molecular weight of 樟柳碱?
The molecular weight of 樟柳碱 is 319.14 g/mol.
Where can I buy 樟柳碱?
You can request a quote for 樟柳碱 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 樟柳碱?
Yes, KEHONG BIO provides custom synthesis services for 樟柳碱 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.