Dehydroagastol
TL;DR: Dehydroagastol (CAS 142182-52-3) is a chemical compound with molecular formula C21H26O4 and molecular weight 342.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,4aS,10aS)-5,8-dihydroxy-6-methoxy-2,4a-dimethyl-1-methylidene-7-prop-1-en-2-yl-3,4,10,10a-tetrahydro-2H-phenanthren-9-one
Also Known As: Dehydroagastol, 19(4-3)Abeo-11,14-dihydroxy-12-methoxy-abieta-8,11,13,15-tetraen-7-one, (2S,4aS,10aS)-5,8-dihydroxy-6-methoxy-2,4a-dimethyl-1-methylidene-7-prop-1-en-2-yl-3,4,10,10a-tetrahydro-2H-phenanthren-9-one, 9(1H)-Phenanthrenone, 2,3,4,4a,10,10a-hexahydro-5,8-dihydroxy-6-methoxy-2,4a-dimethyl-1-methylene-7-(1-methylethenyl)-, (2S-(2alpha,4aalpha,10abeta))-, (2S,4aS,10aS)-5,8-Dihydroxy-6-methoxy-2,4a-dimethyl-1-methylidene-7-(prop-1-en-2-yl)-2,3,4,4a,10,10a-hexahydrophenanthren-9(1H)-one
| Molecular Formula | C21H26O4 |
|---|---|
| Molecular Weight | 342.18 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 342.1831 |
| Heavy Atoms | 25 |
| Complexity | 597.0 |
Chemical Identifiers
| CAS Number | 142182-52-3 |
|---|---|
| SMILES | C[C@H]1CC[C@]2([C@H](C1=C)CC(=O)C3=C2C(=C(C(=C3O)C(=C)C)OC)O)C |
| InChIKey | YAYJIXJFUFMWFD-KDKPCJNHSA-N |
Product Overview
Dehydroagastol (CAS 142182-52-3), with molecular formula C21H26O4 and molecular weight 342.18 g/mol. IUPAC: (2S,4aS,10aS)-5,8-dihydroxy-6-methoxy-2,4a-dimethyl-1-methylidene-7-prop-1-en-2-yl-3,4,10,10a-tetrahydro-2H-phenanthren-9-one.
Chemical Property Profile of Dehydroagastol
Property Insights of Dehydroagastol
The XLogP value of 5.2 indicates that Dehydroagastol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Dehydroagastol. Following Lipinski's Rule of Five, Dehydroagastol has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Dehydroagastol?
The CAS number of Dehydroagastol is 142182-52-3.
What is the molecular formula of Dehydroagastol?
The molecular formula of Dehydroagastol is C21H26O4.
What is the molecular weight of Dehydroagastol?
The molecular weight of Dehydroagastol is 342.18 g/mol.
Where can I buy Dehydroagastol?
You can request a quote for Dehydroagastol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dehydroagastol?
Yes, KEHONG BIO provides custom synthesis services for Dehydroagastol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.