Dehydroandrographolide
TL;DR: Dehydroandrographolide (CAS 1032910-41-0) is a chemical compound with molecular formula C20H28O4 and molecular weight 332.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3E)-3-[2-[(1R,4aS,5R,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethylidene]furan-2-one
Also Known As: Dehydroandrographolide, Dehydroandrographoline, 14,15-Anhydroandrographolide, Dehydroandrographolide [WHO-DD], 14-Deoxy-14,15-dehydroandrographolide
| Molecular Formula | C20H28O4 |
|---|---|
| Molecular Weight | 332.20 g/mol |
| LogP | 3.1154 |
| Topological Polar Surface Area | 66.76 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 332.19876 |
| Heavy Atoms | 24 |
| Complexity | 604.76013 |
Chemical Identifiers
| CAS Number | 1032910-41-0 |
|---|---|
| SMILES | C[C@@]12CC[C@H]([C@@]([C@H]1CCC(=C)[C@H]2C/C=C/3\C=COC3=O)(C)CO)O |
Product Overview
Dehydroandrographolide (CAS 1032910-41-0), with molecular formula C20H28O4 and molecular weight 332.20 g/mol. IUPAC: (3E)-3-[2-[(1R,4aS,5R,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethylidene]furan-2-one.
Chemical Property Profile of Dehydroandrographolide
Property Insights of Dehydroandrographolide
The XLogP value of 3.1154 indicates that Dehydroandrographolide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.76 Ų falls within the moderate polarity range, balancing permeability and solubility for Dehydroandrographolide. Following Lipinski's Rule of Five, Dehydroandrographolide 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 Dehydroandrographolide?
The CAS number of Dehydroandrographolide is 1032910-41-0.
What is the molecular formula of Dehydroandrographolide?
The molecular formula of Dehydroandrographolide is C20H28O4.
What is the molecular weight of Dehydroandrographolide?
The molecular weight of Dehydroandrographolide is 332.20 g/mol.
Where can I buy Dehydroandrographolide?
You can request a quote for Dehydroandrographolide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dehydroandrographolide?
Yes, KEHONG BIO provides custom synthesis services for Dehydroandrographolide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.