![6-benzoylheteratisine [M+H]+ structure](/static/products/997/99759-48-5.png)
6-benzoylheteratisine [M+H]+
TL;DR: 6-benzoylheteratisine [M+H]+ (CAS 99759-48-5) is a chemical compound with molecular formula C29H37NO6 and molecular weight 495.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(12-ethyl-9-hydroxy-17-methoxy-14-methyl-4-oxo-5-oxa-12-azahexacyclo[8.7.2.12,6.01,11.03,9.014,18]icosan-19-yl) benzoate
Also Known As: 6-Benzoylheteratisine, 6-benzoylheteratisine [M+H]+, [(6S,9S,14R,17S,18R,19S)-12-ethyl-9-hydroxy-17-methoxy-14-methyl-4-oxo-5-oxa-12-azahexacyclo[8.7.2.12,6.01,11.03,9.014,18]icosan-19-yl] benzoate
| Molecular Formula | C29H37NO6 |
|---|---|
| Molecular Weight | 495.26 g/mol |
| LogP | 3.05 |
| Topological Polar Surface Area | 85.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 495.2621 |
| Heavy Atoms | 36 |
| Complexity | 1094.4951 |
Chemical Identifiers
| CAS Number | 99759-48-5 |
|---|---|
| SMILES | CCN1CC2(CCC(C34C2C(C(C31)C5(CCC6CC4C5C(=O)O6)O)OC(=O)C7=CC=CC=C7)OC)C |
Product Overview
6-benzoylheteratisine [M+H]+ (CAS 99759-48-5), with molecular formula C29H37NO6 and molecular weight 495.26 g/mol. IUPAC: (12-ethyl-9-hydroxy-17-methoxy-14-methyl-4-oxo-5-oxa-12-azahexacyclo[8.7.2.12,6.01,11.03,9.014,18]icosan-19-yl) benzoate.
Chemical Property Profile of 6-benzoylheteratisine [M+H]+
Property Insights of 6-benzoylheteratisine [M+H]+
The XLogP value of 3.05 indicates that 6-benzoylheteratisine [M+H]+ is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-benzoylheteratisine [M+H]+. Following Lipinski's Rule of Five, 6-benzoylheteratisine [M+H]+ has 1 hydrogen bond donor(s) and 7 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 6-benzoylheteratisine [M+H]+?
The CAS number of 6-benzoylheteratisine [M+H]+ is 99759-48-5.
What is the molecular formula of 6-benzoylheteratisine [M+H]+?
The molecular formula of 6-benzoylheteratisine [M+H]+ is C29H37NO6.
What is the molecular weight of 6-benzoylheteratisine [M+H]+?
The molecular weight of 6-benzoylheteratisine [M+H]+ is 495.26 g/mol.
Where can I buy 6-benzoylheteratisine [M+H]+?
You can request a quote for 6-benzoylheteratisine [M+H]+ directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-benzoylheteratisine [M+H]+?
Yes, KEHONG BIO provides custom synthesis services for 6-benzoylheteratisine [M+H]+ and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.