Kalashine
TL;DR: Kalashine (CAS 76372-24-2) 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.
(6aR)-11-[4-[[(1S)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenoxy]-2-methoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-1,10-diol
Also Known As: Kalashine, Khyberine 7 -methyl ether, J2.407.610E, 4H-Dibenzo(de,g)quinoline-1,10-diol, 5,6,6a,7-tetrahydro-2-methoxy-6-methyl-11-(4-(((1S)-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-isoquinolinyl)methyl)phenoxy)-, (6aR)-, 8,9-Dihydroxy-2,2-dimethyl-4-oxo-1-oxa-3-azaspiro(4.5)dec-7-yl benzoate
| Molecular Formula | C37H40N2O6 |
|---|---|
| Molecular Weight | 608.29 g/mol |
| LogP | 6.1 |
| Topological Polar Surface Area | 83.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 608.28864 |
| Heavy Atoms | 45 |
| Complexity | 979.0 |
Chemical Identifiers
| CAS Number | 76372-24-2 |
|---|---|
| SMILES | CN1CCC2=CC(=C(C3=C2[C@H]1CC4=C3C(=C(C=C4)O)OC5=CC=C(C=C5)C[C@H]6C7=CC(=C(C=C7CCN6C)OC)OC)O)OC |
| InChIKey | FLWXJOMSSUAZEP-WUFINQPMSA-N |
Product Overview
Kalashine (CAS 76372-24-2), with molecular formula C37H40N2O6 and molecular weight 608.29 g/mol. IUPAC: (6aR)-11-[4-[[(1S)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenoxy]-2-methoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-1,10-diol.
Chemical Property Profile of Kalashine
Property Insights of Kalashine
The XLogP value of 6.1 indicates that Kalashine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Kalashine. Following Lipinski's Rule of Five, Kalashine has 2 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 Kalashine?
The CAS number of Kalashine is 76372-24-2.
What is the molecular formula of Kalashine?
The molecular formula of Kalashine is C37H40N2O6.
What is the molecular weight of Kalashine?
The molecular weight of Kalashine is 608.29 g/mol.
Where can I buy Kalashine?
You can request a quote for Kalashine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Kalashine?
Yes, KEHONG BIO provides custom synthesis services for Kalashine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.