毒芹素
TL;DR: 毒芹素 (CAS 505-75-9) is a chemical compound with molecular formula C17H22O2 and molecular weight 258.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
毒芹素
heptadeca-8,10,12-trien-4,6-diyne-1,14-diol
Also Known As: CICUTOXIN, heptadeca-8,10,12-trien-4,6-diyne-1,14-diol, trans-Heptadeca-8,10,12-triene-4,6-diyne-1,14-diol, (8E,10E,12E,14R)-8,10,12-Heptadecatriene-4,6-diyne-1,14-diol
| Molecular Formula | C17H22O2 |
|---|---|
| Molecular Weight | 258.16 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 258.162 |
| Heavy Atoms | 19 |
| Complexity | 429.0 |
Chemical Identifiers
| CAS Number | 505-75-9 |
|---|---|
| SMILES | CCCC(C=CC=CC=CC#CC#CCCCO)O |
| InChIKey | FQVNSJQTSOVRKZ-UHFFFAOYSA-N |
Product Overview
毒芹素 (CAS 505-75-9), with molecular formula C17H22O2 and molecular weight 258.16 g/mol. IUPAC: heptadeca-8,10,12-trien-4,6-diyne-1,14-diol.
Chemical Property Profile of 毒芹素
Property Insights of 毒芹素
The XLogP value of 3.3 indicates that 毒芹素 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.5 Ų, 毒芹素 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 毒芹素 has 2 hydrogen bond donor(s) and 2 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 毒芹素?
The CAS number of 毒芹素 is 505-75-9.
What is the molecular formula of 毒芹素?
The molecular formula of 毒芹素 is C17H22O2.
What is the molecular weight of 毒芹素?
The molecular weight of 毒芹素 is 258.16 g/mol.
Where can I buy 毒芹素?
You can request a quote for 毒芹素 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 毒芹素?
Yes, KEHONG BIO provides custom synthesis services for 毒芹素 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.