Catuabine C
TL;DR: Catuabine C (CAS 65862-80-8) is a chemical compound with molecular formula C19H23N3O4 and molecular weight 357.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1R,3R,5S,6R)-8-methyl-3-(1H-pyrrole-2-carbonyloxy)-8-azabicyclo[3.2.1]octan-6-yl] 1-methylpyrrole-2-carboxylate
Also Known As: CATUABINE C, (1R,3R,5S,6R)-8-Methyl-3-[(1H-pyrrole-2-carbonyl)oxy]-8-azabicyclo[3.2.1]octan-6-yl 1-methyl-1H-pyrrole-2-carboxylate, [(1R,3R,5S,6R)-8-methyl-3-(1H-pyrrole-2-carbonyloxy)-8-azabicyclo[3.2.1]octan-6-yl] 1-methylpyrrole-2-carboxylate, 1H-Pyrrole-2-carboxylic acid, 1-methyl-,(1R,3R,5S,6R)-8-methyl-3-((1H-pyrrol-2-ylcarbonyl)oxy)-8-azabicyclo(3.2.1)oct-6-yl ester, rel-, 8-Methyl-3-[(1H-pyrrole-2-carbonyl)oxy]-8-azabicyclo[3.2.1]octan-6-yl 1-methyl-1H-pyrrole-2-carboxylate
| Molecular Formula | C19H23N3O4 |
|---|---|
| Molecular Weight | 357.17 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 76.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 357.16885 |
| Heavy Atoms | 26 |
| Complexity | 557.0 |
Chemical Identifiers
| CAS Number | 65862-80-8 |
|---|---|
| SMILES | CN1C=CC=C1C(=O)O[C@@H]2C[C@H]3C[C@H](C[C@@H]2N3C)OC(=O)C4=CC=CN4 |
| InChIKey | CQFDQVJNCUORBW-UTJXIGIESA-N |
Product Overview
Catuabine C (CAS 65862-80-8), with molecular formula C19H23N3O4 and molecular weight 357.17 g/mol. IUPAC: [(1R,3R,5S,6R)-8-methyl-3-(1H-pyrrole-2-carbonyloxy)-8-azabicyclo[3.2.1]octan-6-yl] 1-methylpyrrole-2-carboxylate.
Chemical Property Profile of Catuabine C
Property Insights of Catuabine C
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Catuabine C. The TPSA of 76.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Catuabine C. Following Lipinski's Rule of Five, Catuabine C has 1 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 Catuabine C?
The CAS number of Catuabine C is 65862-80-8.
What is the molecular formula of Catuabine C?
The molecular formula of Catuabine C is C19H23N3O4.
What is the molecular weight of Catuabine C?
The molecular weight of Catuabine C is 357.17 g/mol.
Where can I buy Catuabine C?
You can request a quote for Catuabine C directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Catuabine C?
Yes, KEHONG BIO provides custom synthesis services for Catuabine C and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.