CATUABINE B
TL;DR: CATUABINE B (CAS 65862-79-5) is a chemical compound with molecular formula C25H29NO7 and molecular weight 455.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1R,3R,5S,6R)-6-benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3,4,5-trimethoxybenzoate
Also Known As: CATUABINE B, ((1S,3R,5R,7R)-7-Benzoyloxy-8-methyl-8-azabicyclo(3.2.1)oct-3-yl) 3,4,5-trimethoxybenzoate, [(1R,3R,5S,6R)-6-benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3,4,5-trimethoxybenzoate, [(1S,3R,5R,7R)-7-benzoyloxy-8-methyl-8-azabicyclo[3.2.1]oct-3-yl] 3,4,5-trimethoxybenzoate, 6-(Benzoyloxy)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl 3,4,5-trimethoxybenzoate
| Molecular Formula | C25H29NO7 |
|---|---|
| Molecular Weight | 455.19 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 83.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 455.1944 |
| Heavy Atoms | 33 |
| Complexity | 668.0 |
Chemical Identifiers
| CAS Number | 65862-79-5 |
|---|---|
| SMILES | CN1[C@@H]2C[C@H](C[C@H]1[C@@H](C2)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC(=C(C(=C4)OC)OC)OC |
| InChIKey | KLRFPOWAXHODOU-YSTOQKLRSA-N |
Product Overview
CATUABINE B (CAS 65862-79-5), with molecular formula C25H29NO7 and molecular weight 455.19 g/mol. IUPAC: [(1R,3R,5S,6R)-6-benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3,4,5-trimethoxybenzoate.
Chemical Property Profile of CATUABINE B
Property Insights of CATUABINE B
The XLogP value of 4.2 indicates that CATUABINE B is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.5 Ų falls within the moderate polarity range, balancing permeability and solubility for CATUABINE B. Following Lipinski's Rule of Five, CATUABINE B 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 B?
The CAS number of CATUABINE B is 65862-79-5.
What is the molecular formula of CATUABINE B?
The molecular formula of CATUABINE B is C25H29NO7.
What is the molecular weight of CATUABINE B?
The molecular weight of CATUABINE B is 455.19 g/mol.
Where can I buy CATUABINE B?
You can request a quote for CATUABINE B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CATUABINE B?
Yes, KEHONG BIO provides custom synthesis services for CATUABINE B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.