Isoboldine
TL;DR: Isoboldine (CAS 95508-61-5) is a chemical compound with molecular formula C19H21NO4 and molecular weight 327.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6aS)-2,10-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-1,9-diol
Also Known As: Isoboldine, (+)-Isoboldine, d-Isoboldine, Isoteolin, Isoteoline
| Molecular Formula | C19H21NO4 |
|---|---|
| Molecular Weight | 327.15 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 62.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 327.14706 |
| Heavy Atoms | 24 |
| Complexity | 461.0 |
Chemical Identifiers
| CAS Number | 95508-61-5 |
|---|---|
| SMILES | CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=CC(=C(C=C43)OC)O)O)OC |
| InChIKey | LINHZVMHXABQLB-ZDUSSCGKSA-N |
Product Overview
Isoboldine (CAS 95508-61-5), with molecular formula C19H21NO4 and molecular weight 327.15 g/mol. IUPAC: (6aS)-2,10-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-1,9-diol.
Chemical Property Profile of Isoboldine
Property Insights of Isoboldine
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isoboldine. The TPSA of 62.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Isoboldine. Following Lipinski's Rule of Five, Isoboldine 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 Isoboldine?
The CAS number of Isoboldine is 95508-61-5.
What is the molecular formula of Isoboldine?
The molecular formula of Isoboldine is C19H21NO4.
What is the molecular weight of Isoboldine?
The molecular weight of Isoboldine is 327.15 g/mol.
Where can I buy Isoboldine?
You can request a quote for Isoboldine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isoboldine?
Yes, KEHONG BIO provides custom synthesis services for Isoboldine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.