17-Hydroxyagrostistachin
TL;DR: 17-Hydroxyagrostistachin (CAS 114076-70-9) 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.
(1R,2Z,5R,6Z,9R,10Z,14S,15S)-5,9-dihydroxy-15-(hydroxymethyl)-3,7,11,15-tetramethylbicyclo[12.1.0]pentadeca-2,6,10-trien-4-one
Also Known As: 17-Hydroxyagrostistachin, (1S,4Z,6R,8Z,10R,12Z,14R,15S)-6,10-dihydroxy-15-(hydroxymethyl)-4,8,12,15-tetramethylbicyclo[12.1.0]pentadeca-4,8,12-trien-11-one
| Molecular Formula | C20H30O4 |
|---|---|
| Molecular Weight | 334.21 g/mol |
| LogP | 2.5447 |
| Topological Polar Surface Area | 77.76 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 334.21442 |
| Heavy Atoms | 24 |
| Complexity | 586.4463 |
Chemical Identifiers
| CAS Number | 114076-70-9 |
|---|---|
| SMILES | C/C/1=C/[C@@H](C/C(=C\[C@H](C(=O)/C(=C\[C@@H]2[C@@H]([C@]2(C)CO)CC1)/C)O)/C)O |
Product Overview
17-Hydroxyagrostistachin (CAS 114076-70-9), with molecular formula C20H30O4 and molecular weight 334.21 g/mol. IUPAC: (1R,2Z,5R,6Z,9R,10Z,14S,15S)-5,9-dihydroxy-15-(hydroxymethyl)-3,7,11,15-tetramethylbicyclo[12.1.0]pentadeca-2,6,10-trien-4-one.
Chemical Property Profile of 17-Hydroxyagrostistachin
Property Insights of 17-Hydroxyagrostistachin
The XLogP value of 2.5447 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 17-Hydroxyagrostistachin. The TPSA of 77.76 Ų falls within the moderate polarity range, balancing permeability and solubility for 17-Hydroxyagrostistachin. Following Lipinski's Rule of Five, 17-Hydroxyagrostistachin has 3 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 17-Hydroxyagrostistachin?
The CAS number of 17-Hydroxyagrostistachin is 114076-70-9.
What is the molecular formula of 17-Hydroxyagrostistachin?
The molecular formula of 17-Hydroxyagrostistachin is C20H30O4.
What is the molecular weight of 17-Hydroxyagrostistachin?
The molecular weight of 17-Hydroxyagrostistachin is 334.21 g/mol.
Where can I buy 17-Hydroxyagrostistachin?
You can request a quote for 17-Hydroxyagrostistachin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 17-Hydroxyagrostistachin?
Yes, KEHONG BIO provides custom synthesis services for 17-Hydroxyagrostistachin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.