Dinklageine
TL;DR: Dinklageine (CAS 91668-36-9) is a chemical compound with molecular formula C19H23NO5 and molecular weight 345.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (4aS,6S,7R,7aS)-6-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]-7-methyl-1-oxo-5,6,7,7a-tetrahydro-4aH-cyclopenta[c]pyridine-4-carboxylate
Also Known As: Dinklageine, Dinklageine (Strychnos), nitrogen sesquioxide, 1H-2-Pyrindine-4-carboxylic acid, 2,4a,5,6,7,7a-hexahydro-6-hydroxy-2[2-(4-hydroxyphenyl)-ethyl]-7-methyl-1-oxo-, methyl ester, [4aS-(4a.alpha.,6.alpha.,7.alpha.,7a.alpha.)]-, methyl (4aS,6S,7R,7aS)-6-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]-7-methyl-1-oxo-5,6,7,7a-tetrahydro-4aH-cyclopenta[c]pyridine-4-carboxylate
| Molecular Formula | C19H23NO5 |
|---|---|
| Molecular Weight | 345.16 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 87.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 345.15762 |
| Heavy Atoms | 25 |
| Complexity | 552.0 |
Chemical Identifiers
| CAS Number | 91668-36-9 |
|---|---|
| SMILES | C[C@H]1[C@H](C[C@H]2[C@@H]1C(=O)N(C=C2C(=O)OC)CCC3=CC=C(C=C3)O)O |
| InChIKey | QAUCSANHJLYHKL-WGHIXYSZSA-N |
Product Overview
Dinklageine (CAS 91668-36-9), with molecular formula C19H23NO5 and molecular weight 345.16 g/mol. IUPAC: methyl (4aS,6S,7R,7aS)-6-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]-7-methyl-1-oxo-5,6,7,7a-tetrahydro-4aH-cyclopenta[c]pyridine-4-carboxylate.
Chemical Property Profile of Dinklageine
Property Insights of Dinklageine
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dinklageine. The TPSA of 87.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Dinklageine. Following Lipinski's Rule of Five, Dinklageine has 2 hydrogen bond donor(s) and 5 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 Dinklageine?
The CAS number of Dinklageine is 91668-36-9.
What is the molecular formula of Dinklageine?
The molecular formula of Dinklageine is C19H23NO5.
What is the molecular weight of Dinklageine?
The molecular weight of Dinklageine is 345.16 g/mol.
Where can I buy Dinklageine?
You can request a quote for Dinklageine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dinklageine?
Yes, KEHONG BIO provides custom synthesis services for Dinklageine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.