Cantleyine
TL;DR: Cantleyine (CAS 30333-81-4) 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 (6S,7R)-6-hydroxy-7-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carboxylate
Also Known As: Cantleyine, Isocantleyine, methyl (6S,7R)-6-hydroxy-7-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carboxylate, Methyl (6S,7R)-6,7-dihydro-6-hydroxy-7-methyl-5H-cyclopenta(c)pyridine-4-carboxylate, methyl (6S,7R)-6-hydroxy-7-methyl-5H,6H,7H-cyclopenta[c]pyridine-4-carboxylate
| 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 | 30333-81-4 |
|---|---|
| SMILES | C[C@H]1[C@H](CC2=C(C=NC=C12)C(=O)OC)O |
| InChIKey | MJGLQDXKEOEIFB-LDWIPMOCSA-N |
Product Overview
Cantleyine (CAS 30333-81-4), with molecular formula C11H13NO3 and molecular weight 207.09 g/mol. IUPAC: methyl (6S,7R)-6-hydroxy-7-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carboxylate.
Chemical Property Profile of Cantleyine
Property Insights of Cantleyine
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cantleyine. With a topological polar surface area (TPSA) of 59.4 Ų, Cantleyine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cantleyine 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 Cantleyine?
The CAS number of Cantleyine is 30333-81-4.
What is the molecular formula of Cantleyine?
The molecular formula of Cantleyine is C11H13NO3.
What is the molecular weight of Cantleyine?
The molecular weight of Cantleyine is 207.09 g/mol.
Where can I buy Cantleyine?
You can request a quote for Cantleyine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cantleyine?
Yes, KEHONG BIO provides custom synthesis services for Cantleyine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.