14-deoxy-12-hydroxyandrographolide
TL;DR: 14-deoxy-12-hydroxyandrographolide (CAS 219721-33-2) is a chemical compound with molecular formula C20H30O5 and molecular weight 350.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[1-hydroxy-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: 14-deoxy-12-hydroxyandrographolide, NCI60_009467, 3-{1-hydroxy-2-[6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidenedecahydronaphthalen-1-yl]ethyl}furan-2(5H)-one, 4-[1-hydroxy-2-[6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylene-decalin-1-yl]ethyl]-2H-furan-5-one, 3-(1-Hydroxy-2-(6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylenedecahydro-1-naphthalenyl)ethyl)-2(5H)-furanone
| Molecular Formula | C20H30O5 |
|---|---|
| Molecular Weight | 350.21 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 87.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 350.20932 |
| Heavy Atoms | 25 |
| Complexity | 597.0 |
Chemical Identifiers
| CAS Number | 219721-33-2 |
|---|---|
| SMILES | CC12CCC(C(C1CCC(=C)C2CC(C3=CCOC3=O)O)(C)CO)O |
| InChIKey | KHQNSSJNIXVKMK-UHFFFAOYSA-N |
Product Overview
14-deoxy-12-hydroxyandrographolide (CAS 219721-33-2), with molecular formula C20H30O5 and molecular weight 350.21 g/mol. IUPAC: 4-[1-hydroxy-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 14-deoxy-12-hydroxyandrographolide
Property Insights of 14-deoxy-12-hydroxyandrographolide
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 14-deoxy-12-hydroxyandrographolide. The TPSA of 87.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 14-deoxy-12-hydroxyandrographolide. Following Lipinski's Rule of Five, 14-deoxy-12-hydroxyandrographolide has 3 hydrogen bond donor(s) and 5 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 14-deoxy-12-hydroxyandrographolide?
The CAS number of 14-deoxy-12-hydroxyandrographolide is 219721-33-2.
What is the molecular formula of 14-deoxy-12-hydroxyandrographolide?
The molecular formula of 14-deoxy-12-hydroxyandrographolide is C20H30O5.
What is the molecular weight of 14-deoxy-12-hydroxyandrographolide?
The molecular weight of 14-deoxy-12-hydroxyandrographolide is 350.21 g/mol.
Where can I buy 14-deoxy-12-hydroxyandrographolide?
You can request a quote for 14-deoxy-12-hydroxyandrographolide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 14-deoxy-12-hydroxyandrographolide?
Yes, KEHONG BIO provides custom synthesis services for 14-deoxy-12-hydroxyandrographolide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.