CATUABINE A
TL;DR: CATUABINE A (CAS 65862-78-4) is a chemical compound with molecular formula C24H30N2O7 and molecular weight 458.21 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-(3,4,5-trimethoxybenzoyl)oxy-8-azabicyclo[3.2.1]octan-6-yl] 1-methylpyrrole-2-carboxylate
Also Known As: CATUABINE A, [(1R,3R,5S,6R)-8-methyl-3-(3,4,5-trimethoxybenzoyl)oxy-8-azabicyclo[3.2.1]octan-6-yl] 1-methylpyrrole-2-carboxylate, 4-[(2Z)-2-(2-Hydroxy-3-methyl-4-oxonaphthalen-1(4H)-ylidene)hydrazino]benzoic acid, (1R,3R,5S,6R)-8-Methyl-3-[(3,4,5-trimethoxybenzoyl)oxy]-8-azabicy clo[3.2.1]oct-6-yl 1-methyl-1H-pyrrole-2-carboxylate, (1R,3R,5S,6R)-8-Methyl-3-[(3,4,5-trimethoxybenzoyl)oxy]-8-azabicyclo[3.2.1]octan-6-yl 1-methyl-1H-pyrrole-2-carboxylate
| Molecular Formula | C24H30N2O7 |
|---|---|
| Molecular Weight | 458.21 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 88.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 458.2053 |
| Heavy Atoms | 33 |
| Complexity | 692.0 |
Chemical Identifiers
| CAS Number | 65862-78-4 |
|---|---|
| SMILES | CN1C=CC=C1C(=O)O[C@@H]2C[C@H]3C[C@H](C[C@@H]2N3C)OC(=O)C4=CC(=C(C(=C4)OC)OC)OC |
| InChIKey | CAHAQCHLZKGNOA-ZAWLATJESA-N |
Product Overview
CATUABINE A (CAS 65862-78-4), with molecular formula C24H30N2O7 and molecular weight 458.21 g/mol. IUPAC: [(1R,3R,5S,6R)-8-methyl-3-(3,4,5-trimethoxybenzoyl)oxy-8-azabicyclo[3.2.1]octan-6-yl] 1-methylpyrrole-2-carboxylate.
Chemical Property Profile of CATUABINE A
Property Insights of CATUABINE A
The XLogP value of 3.2 indicates that CATUABINE A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.5 Ų falls within the moderate polarity range, balancing permeability and solubility for CATUABINE A. Following Lipinski's Rule of Five, CATUABINE A has 0 hydrogen bond donor(s) and 8 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 A?
The CAS number of CATUABINE A is 65862-78-4.
What is the molecular formula of CATUABINE A?
The molecular formula of CATUABINE A is C24H30N2O7.
What is the molecular weight of CATUABINE A?
The molecular weight of CATUABINE A is 458.21 g/mol.
Where can I buy CATUABINE A?
You can request a quote for CATUABINE A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CATUABINE A?
Yes, KEHONG BIO provides custom synthesis services for CATUABINE A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.