8-Trichloromethyldihydroberberine
TL;DR: 8-Trichloromethyldihydroberberine (CAS 50932-22-4) is a chemical compound with molecular formula C21H18Cl3NO4 and molecular weight 453.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
16,17-dimethoxy-14-(trichloromethyl)-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(21),2,4(8),9,15(20),16,18-heptaene
Also Known As: chloroformberberine, 8-Trichloromethyldihydroberberine, dimethoxy(trichloromethyl)[?], 8-Trichloromethyl-7,8-dihydroberberine, NCI60_002194
| Molecular Formula | C21H18Cl3NO4 |
|---|---|
| Molecular Weight | 453.03 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 40.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 453.03015 |
| Heavy Atoms | 29 |
| Complexity | 656.0 |
Chemical Identifiers
| CAS Number | 50932-22-4 |
|---|---|
| SMILES | COC1=C(C2=C(C=C1)C=C3C4=CC5=C(C=C4CCN3C2C(Cl)(Cl)Cl)OCO5)OC |
| InChIKey | CAGHPRDTHLKFCW-UHFFFAOYSA-N |
Product Overview
8-Trichloromethyldihydroberberine (CAS 50932-22-4), with molecular formula C21H18Cl3NO4 and molecular weight 453.03 g/mol. IUPAC: 16,17-dimethoxy-14-(trichloromethyl)-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(21),2,4(8),9,15(20),16,18-heptaene.
Chemical Property Profile of 8-Trichloromethyldihydroberberine
Property Insights of 8-Trichloromethyldihydroberberine
The XLogP value of 5.4 indicates that 8-Trichloromethyldihydroberberine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.2 Ų, 8-Trichloromethyldihydroberberine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8-Trichloromethyldihydroberberine has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 8-Trichloromethyldihydroberberine?
The CAS number of 8-Trichloromethyldihydroberberine is 50932-22-4.
What is the molecular formula of 8-Trichloromethyldihydroberberine?
The molecular formula of 8-Trichloromethyldihydroberberine is C21H18Cl3NO4.
What is the molecular weight of 8-Trichloromethyldihydroberberine?
The molecular weight of 8-Trichloromethyldihydroberberine is 453.03 g/mol.
Where can I buy 8-Trichloromethyldihydroberberine?
You can request a quote for 8-Trichloromethyldihydroberberine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-Trichloromethyldihydroberberine?
Yes, KEHONG BIO provides custom synthesis services for 8-Trichloromethyldihydroberberine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.