Isocantleyine
TL;DR: Isocantleyine (CAS 143564-04-9) is a chemical compound with molecular formula C11H13NO3 and molecular weight 207.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (6R,7R)-6-hydroxy-7-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carboxylate
Also Known As: Isocantleyine, 5H-2-Pyridine-4-carboxylic acid, 6,7-dihydro-6-hydroxy-7-methylmethyl ester, methyl (6R,7R)-6-hydroxy-7-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carboxylate, methyl 6-hydroxy-7-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carboxylate, 5H-2-Pyridine-4-carboxylic acid, 6,7-dihydro-6-hydroxy-7-methyl-, methyl ester, (6R-trans)-
| Molecular Formula | C11H13NO3 |
|---|---|
| Molecular Weight | 207.09 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 59.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 207.08954 |
| Heavy Atoms | 15 |
| Complexity | 256.0 |
Chemical Identifiers
| CAS Number | 143564-04-9 |
|---|---|
| SMILES | C[C@H]1[C@@H](CC2=C(C=NC=C12)C(=O)OC)O |
| InChIKey | MJGLQDXKEOEIFB-LHLIQPBNSA-N |
Product Overview
Isocantleyine (CAS 143564-04-9), with molecular formula C11H13NO3 and molecular weight 207.09 g/mol. IUPAC: methyl (6R,7R)-6-hydroxy-7-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carboxylate.
Chemical Property Profile of Isocantleyine
Property Insights of Isocantleyine
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isocantleyine. With a topological polar surface area (TPSA) of 59.4 Ų, Isocantleyine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isocantleyine 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 Isocantleyine?
The CAS number of Isocantleyine is 143564-04-9.
What is the molecular formula of Isocantleyine?
The molecular formula of Isocantleyine is C11H13NO3.
What is the molecular weight of Isocantleyine?
The molecular weight of Isocantleyine is 207.09 g/mol.
Where can I buy Isocantleyine?
You can request a quote for Isocantleyine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isocantleyine?
Yes, KEHONG BIO provides custom synthesis services for Isocantleyine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.