Dehatrine
TL;DR: Dehatrine (CAS 22458-49-7) is a chemical compound with molecular formula C37H38N2O6 and molecular weight 606.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(14R)-9,20,21,25-tetramethoxy-15-methyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-1(30),3(36),4,6(35),8,10,12(34),18,20,22(33),24,26,31-tridecaene
Also Known As: Dehatrine, J2.406.395J, 6,6',7,12-tetramethoxy-2-methyl-1',2'-didehydroberbaman, 16H-1,24:6,9-Dietheno-11,15-metheno-2H-pyrido(2',3':17,18)(1,11)dioxacycloeicosino(2,3,4-ij)isoquinoline, 3,5,16a,17,18,19-hexahydro-12,21,22,26-tetramethoxy-17-methyl-, (R)-, (14R)-9,20,21,25-tetramethoxy-15-methyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-1(30),3(36),4,6(35),8,10,12(34),18,20,22(33),24,26,31-tridecaene
| Molecular Formula | C37H38N2O6 |
|---|---|
| Molecular Weight | 606.27 g/mol |
| LogP | 5.8 |
| Topological Polar Surface Area | 71.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 606.273 |
| Heavy Atoms | 45 |
| Complexity | 1000.0 |
Chemical Identifiers
| CAS Number | 22458-49-7 |
|---|---|
| SMILES | CN1CCC2=CC(=C(C3=C2[C@H]1CC4=CC(=C(C=C4)OC)OC5=CC=C(CC6=NCCC7=CC(=C(O3)C=C76)OC)C=C5)OC)OC |
| InChIKey | LPFIPRSEXCVWTR-GDLZYMKVSA-N |
Product Overview
Dehatrine (CAS 22458-49-7), with molecular formula C37H38N2O6 and molecular weight 606.27 g/mol. IUPAC: (14R)-9,20,21,25-tetramethoxy-15-methyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-1(30),3(36),4,6(35),8,10,12(34),18,20,22(33),24,26,31-tridecaene.
Chemical Property Profile of Dehatrine
Property Insights of Dehatrine
The XLogP value of 5.8 indicates that Dehatrine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Dehatrine. Following Lipinski's Rule of Five, Dehatrine has 0 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 Dehatrine?
The CAS number of Dehatrine is 22458-49-7.
What is the molecular formula of Dehatrine?
The molecular formula of Dehatrine is C37H38N2O6.
What is the molecular weight of Dehatrine?
The molecular weight of Dehatrine is 606.27 g/mol.
Where can I buy Dehatrine?
You can request a quote for Dehatrine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dehatrine?
Yes, KEHONG BIO provides custom synthesis services for Dehatrine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.