BERBERINE DERIV JCI 2221
TL;DR: BERBERINE DERIV JCI 2221 (CAS 70866-40-9) is a chemical compound with molecular formula C27H25NO10 and molecular weight 523.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 14,16,17-trimethoxy-21-oxo-5,7-dioxa-13-azahexacyclo[12.7.2.01,13.02,10.04,8.015,20]tricosa-2,4(8),9,15(20),16,18,22-heptaene-22,23-dicarboxylate
Also Known As: BERBERINE DERIV JCI 2221, 8,9,10-trimethoxy-13-oxo-5,6,8,13-tetrahydro-8,13a-etheno-[1, Dimethyl 14,16,17-trimethoxy-21-oxo-5,7-dioxa-13-azahexacyclo[12.7.2.01,13.02,10.04,8.015,20]tricosa-2,4(8),9,15(20),16,18,22-heptaene-22,23-dicarboxylate, Dimethyl 8,9,10-trimethoxy-13-oxo-5,6,8,13-tetrahydro-2H-8,13a-etheno[1,3]dioxolo[4,5-g]isoquinolino[3,2-a]isoquinoline-15,16-dicarboxylate
| Molecular Formula | C27H25NO10 |
|---|---|
| Molecular Weight | 523.15 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 119.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 7 |
| Exact Mass | 523.1478 |
| Heavy Atoms | 38 |
| Complexity | 1060.0 |
Chemical Identifiers
| CAS Number | 70866-40-9 |
|---|---|
| SMILES | COC1=C(C2=C(C=C1)C(=O)C34C5=CC6=C(C=C5CCN3C2(C(=C4C(=O)OC)C(=O)OC)OC)OCO6)OC |
| InChIKey | DZEXIKSFLNUPAM-UHFFFAOYSA-N |
Product Overview
BERBERINE DERIV JCI 2221 (CAS 70866-40-9), with molecular formula C27H25NO10 and molecular weight 523.15 g/mol. IUPAC: dimethyl 14,16,17-trimethoxy-21-oxo-5,7-dioxa-13-azahexacyclo[12.7.2.01,13.02,10.04,8.015,20]tricosa-2,4(8),9,15(20),16,18,22-heptaene-22,23-dicarboxylate.
Chemical Property Profile of BERBERINE DERIV JCI 2221
Property Insights of BERBERINE DERIV JCI 2221
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BERBERINE DERIV JCI 2221. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for BERBERINE DERIV JCI 2221. Following Lipinski's Rule of Five, BERBERINE DERIV JCI 2221 has 0 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BERBERINE DERIV JCI 2221?
The CAS number of BERBERINE DERIV JCI 2221 is 70866-40-9.
What is the molecular formula of BERBERINE DERIV JCI 2221?
The molecular formula of BERBERINE DERIV JCI 2221 is C27H25NO10.
What is the molecular weight of BERBERINE DERIV JCI 2221?
The molecular weight of BERBERINE DERIV JCI 2221 is 523.15 g/mol.
Where can I buy BERBERINE DERIV JCI 2221?
You can request a quote for BERBERINE DERIV JCI 2221 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BERBERINE DERIV JCI 2221?
Yes, KEHONG BIO provides custom synthesis services for BERBERINE DERIV JCI 2221 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.