Ancistrocongoline A
TL;DR: Ancistrocongoline A (CAS 455255-21-7) is a chemical compound with molecular formula C24H27NO4 and molecular weight 393.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,3R)-5-(4-hydroxy-5-methoxy-7-methylnaphthalen-1-yl)-1,2,3-trimethyl-3,4-dihydro-1H-isoquinoline-6,8-diol
Also Known As: Ancistrocongoline A, Korupensamine D, J1.792.865A, 6,8-Isoquinolinediol, 1,2,3,4-tetrahydro-5-(4-hydroxy-5-methoxy-7-methyl-1-naphthalenyl)-1,2,3-trimethyl-, (1R,3R,5S)-, (1R,3R)-5-(4-hydroxy-5-methoxy-7-methylnaphthalen-1-yl)-1,2,3-trimethyl-3,4-dihydro-1H-isoquinoline-6,8-diol
| Molecular Formula | C24H27NO4 |
|---|---|
| Molecular Weight | 393.19 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 73.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 393.194 |
| Heavy Atoms | 29 |
| Complexity | 573.0 |
Chemical Identifiers
| CAS Number | 455255-21-7 |
|---|---|
| SMILES | C[C@@H]1CC2=C(C(=CC(=C2[C@H](N1C)C)O)O)C3=C4C=C(C=C(C4=C(C=C3)O)OC)C |
| InChIKey | GWJJRDKEDFSIDL-ZIAGYGMSSA-N |
Product Overview
Ancistrocongoline A (CAS 455255-21-7), with molecular formula C24H27NO4 and molecular weight 393.19 g/mol. IUPAC: (1R,3R)-5-(4-hydroxy-5-methoxy-7-methylnaphthalen-1-yl)-1,2,3-trimethyl-3,4-dihydro-1H-isoquinoline-6,8-diol.
Chemical Property Profile of Ancistrocongoline A
Property Insights of Ancistrocongoline A
The XLogP value of 4.8 indicates that Ancistrocongoline A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Ancistrocongoline A. Following Lipinski's Rule of Five, Ancistrocongoline A has 3 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 Ancistrocongoline A?
The CAS number of Ancistrocongoline A is 455255-21-7.
What is the molecular formula of Ancistrocongoline A?
The molecular formula of Ancistrocongoline A is C24H27NO4.
What is the molecular weight of Ancistrocongoline A?
The molecular weight of Ancistrocongoline A is 393.19 g/mol.
Where can I buy Ancistrocongoline A?
You can request a quote for Ancistrocongoline A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ancistrocongoline A?
Yes, KEHONG BIO provides custom synthesis services for Ancistrocongoline A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.