Deoxyandrographolide
TL;DR: Deoxyandrographolide (CAS 79233-15-1) is a chemical compound with molecular formula C20H30O4 and molecular weight 334.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-[6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethyl]-2H-furan-5-one
Also Known As: Deoxyandrographolide, 14-deoxyandrographolide, 14-Deoxy-11,12-didehydroandrographolide, 14-Deoxyandrographolide [M+H]+, 2(5H)-Furanone, 3-[2-[decahydro-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylene-1-naphthalenyl]ethyl]-
| Molecular Formula | C20H30O4 |
|---|---|
| Molecular Weight | 334.21 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 334.21442 |
| Heavy Atoms | 24 |
| Complexity | 566.0 |
Chemical Identifiers
| CAS Number | 79233-15-1 |
|---|---|
| SMILES | CC12CCC(C(C1CCC(=C)C2CCC3=CCOC3=O)(C)CO)O |
| InChIKey | GVRNTWSGBWPJGS-UHFFFAOYSA-N |
Product Overview
Deoxyandrographolide (CAS 79233-15-1), with molecular formula C20H30O4 and molecular weight 334.21 g/mol. IUPAC: 4-[2-[6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethyl]-2H-furan-5-one.
Chemical Property Profile of Deoxyandrographolide
Property Insights of Deoxyandrographolide
The XLogP value of 3.4 indicates that Deoxyandrographolide 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 Deoxyandrographolide. Following Lipinski's Rule of Five, Deoxyandrographolide has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Deoxyandrographolide?
The CAS number of Deoxyandrographolide is 79233-15-1.
What is the molecular formula of Deoxyandrographolide?
The molecular formula of Deoxyandrographolide is C20H30O4.
What is the molecular weight of Deoxyandrographolide?
The molecular weight of Deoxyandrographolide is 334.21 g/mol.
Where can I buy Deoxyandrographolide?
You can request a quote for Deoxyandrographolide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Deoxyandrographolide?
Yes, KEHONG BIO provides custom synthesis services for Deoxyandrographolide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.