6-Acetonyldihydrochelerythrine
TL;DR: 6-Acetonyldihydrochelerythrine (CAS 25943-52-6) is a chemical compound with molecular formula C24H23NO5 and molecular weight 405.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(13S)-1,2-dimethoxy-12-methyl-13H-[1,3]benzodioxolo[5,6-c]phenanthridin-13-yl]propan-2-one
Also Known As: Acetonylchelerythrine, 6-Acetonyldihydrochelerythrine, Chelerythrine acetonate, Acetonyldihydrochelerythrine, 13-Acetonyldihydrochelerythrine
| Molecular Formula | C24H23NO5 |
|---|---|
| Molecular Weight | 405.16 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 57.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 405.15762 |
| Heavy Atoms | 30 |
| Complexity | 643.0 |
Chemical Identifiers
| CAS Number | 25943-52-6 |
|---|---|
| SMILES | CC(=O)C[C@H]1C2=C(C=CC(=C2OC)OC)C3=C(N1C)C4=CC5=C(C=C4C=C3)OCO5 |
| InChIKey | VGTQLFWIJIABSU-SFHVURJKSA-N |
Product Overview
6-Acetonyldihydrochelerythrine (CAS 25943-52-6), with molecular formula C24H23NO5 and molecular weight 405.16 g/mol. IUPAC: 1-[(13S)-1,2-dimethoxy-12-methyl-13H-[1,3]benzodioxolo[5,6-c]phenanthridin-13-yl]propan-2-one.
Chemical Property Profile of 6-Acetonyldihydrochelerythrine
Property Insights of 6-Acetonyldihydrochelerythrine
The XLogP value of 3.9 indicates that 6-Acetonyldihydrochelerythrine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.2 Ų, 6-Acetonyldihydrochelerythrine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Acetonyldihydrochelerythrine has 0 hydrogen bond donor(s) and 6 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-Acetonyldihydrochelerythrine?
The CAS number of 6-Acetonyldihydrochelerythrine is 25943-52-6.
What is the molecular formula of 6-Acetonyldihydrochelerythrine?
The molecular formula of 6-Acetonyldihydrochelerythrine is C24H23NO5.
What is the molecular weight of 6-Acetonyldihydrochelerythrine?
The molecular weight of 6-Acetonyldihydrochelerythrine is 405.16 g/mol.
Where can I buy 6-Acetonyldihydrochelerythrine?
You can request a quote for 6-Acetonyldihydrochelerythrine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Acetonyldihydrochelerythrine?
Yes, KEHONG BIO provides custom synthesis services for 6-Acetonyldihydrochelerythrine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.