Illudinine
TL;DR: Illudinine (CAS 18612-47-0) is a chemical compound with molecular formula C16H17NO3 and molecular weight 271.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-methoxy-7,7-dimethyl-6,8-dihydrocyclopenta[g]isoquinoline-5-carboxylic acid
Also Known As: Illudimine, 9-methoxy-7,7-dimethyl-6,8-dihydrocyclopenta[g]isoquinoline-5-carboxylic acid, 6H-Cyclopent(g)isoquinoline-5-carboxylic acid, 7,8-dihydro-9-methoxy-7,7-dimethyl-, 9-methoxy-7,7-dimethyl-7,8-dihydro-6h-cyclopenta[g]isoquinoline-5-carboxylic acid, 9-methoxy-7,7-dimethyl-6,8-dihydrocyclopenta[g]isoquinoline-
| Molecular Formula | C16H17NO3 |
|---|---|
| Molecular Weight | 271.12 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 59.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 271.12085 |
| Heavy Atoms | 20 |
| Complexity | 395.0 |
Chemical Identifiers
| CAS Number | 18612-47-0 |
|---|---|
| SMILES | CC1(CC2=C(C3=C(C=NC=C3)C(=C2C1)OC)C(=O)O)C |
| InChIKey | FSBVQCVHOXXMGN-UHFFFAOYSA-N |
Product Overview
Illudinine (CAS 18612-47-0), with molecular formula C16H17NO3 and molecular weight 271.12 g/mol. IUPAC: 9-methoxy-7,7-dimethyl-6,8-dihydrocyclopenta[g]isoquinoline-5-carboxylic acid.
Chemical Property Profile of Illudinine
Property Insights of Illudinine
The XLogP value of 3.1 indicates that Illudinine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.4 Ų, Illudinine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Illudinine has 1 hydrogen bond donor(s) and 4 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 Illudinine?
The CAS number of Illudinine is 18612-47-0.
What is the molecular formula of Illudinine?
The molecular formula of Illudinine is C16H17NO3.
What is the molecular weight of Illudinine?
The molecular weight of Illudinine is 271.12 g/mol.
Where can I buy Illudinine?
You can request a quote for Illudinine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Illudinine?
Yes, KEHONG BIO provides custom synthesis services for Illudinine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.