BERBAMINE
TL;DR: BERBAMINE (CAS 478-61-5) is a chemical compound with molecular formula C37H40N2O6 and molecular weight 608.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
20,21,25-trimethoxy-15,30-dimethyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-3(36),4,6(35),8,10,12(34),18,20,22(33),24,26,31-dodecaen-9-ol
Also Known As: BERBAMINE, Berbenine, d-Berbamine, Pycnamine, Cassic acid
| Molecular Formula | C37H40N2O6 |
|---|---|
| Molecular Weight | 608.29 g/mol |
| LogP | 6.1 |
| Topological Polar Surface Area | 72.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 608.28864 |
| Heavy Atoms | 45 |
| Complexity | 963.0 |
Chemical Identifiers
| CAS Number | 478-61-5 |
|---|---|
| SMILES | CN1CCC2=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6C7=C(O3)C(=C(C=C7CCN6C)OC)OC)O)OC |
| InChIKey | DFOCUWZXJBAUSQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
BERBAMINE (CAS 478-61-5), with molecular formula C37H40N2O6 and molecular weight 608.29 g/mol. IUPAC: 20,21,25-trimethoxy-15,30-dimethyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-3(36),4,6(35),8,10,12(34),18,20,22(33),24,26,31-dodecaen-9-ol.
Chemical Property Profile of BERBAMINE
Property Insights of BERBAMINE
The XLogP value of 6.1 indicates that BERBAMINE is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.9 Ų falls within the moderate polarity range, balancing permeability and solubility for BERBAMINE. Following Lipinski's Rule of Five, BERBAMINE has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BERBAMINE?
The CAS number of BERBAMINE is 478-61-5.
What is the molecular formula of BERBAMINE?
The molecular formula of BERBAMINE is C37H40N2O6.
What is the molecular weight of BERBAMINE?
The molecular weight of BERBAMINE is 608.29 g/mol.
Where can I buy BERBAMINE?
You can request a quote for BERBAMINE directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BERBAMINE?
Yes, KEHONG BIO provides custom synthesis services for BERBAMINE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.