倒捻子素
TL;DR: 倒捻子素 (CAS 6147-11-1) is a chemical compound with molecular formula C15H8Cl2N2O2 and molecular weight 318.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
倒捻子素
3-(2,6-dichlorophenyl)-2-(4-nitrophenyl)prop-2-enenitrile
Also Known As: 3-(2,6-dichlorophenyl)-2-(4-nitrophenyl)prop-2-enenitrile, (Z)-3-(2,6-dichlorophenyl)-2-(4-nitrophenyl)prop-2-enenitrile
| Molecular Formula | C15H8Cl2N2O2 |
|---|---|
| Molecular Weight | 318.00 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 69.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 317.99628 |
| Heavy Atoms | 21 |
| Complexity | 448.0 |
Chemical Identifiers
| CAS Number | 6147-11-1 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)Cl)C=C(C#N)C2=CC=C(C=C2)[N+](=O)[O-])Cl |
| InChIKey | DWFAPUZCBPYRAR-UHFFFAOYSA-N |
Product Overview
倒捻子素 (CAS 6147-11-1), with molecular formula C15H8Cl2N2O2 and molecular weight 318.00 g/mol. IUPAC: 3-(2,6-dichlorophenyl)-2-(4-nitrophenyl)prop-2-enenitrile.
Chemical Property Profile of 倒捻子素
Property Insights of 倒捻子素
The XLogP value of 4.8 indicates that 倒捻子素 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 倒捻子素. Following Lipinski's Rule of Five, 倒捻子素 has 0 hydrogen bond donor(s) and 3 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 倒捻子素?
The CAS number of 倒捻子素 is 6147-11-1.
What is the molecular formula of 倒捻子素?
The molecular formula of 倒捻子素 is C15H8Cl2N2O2.
What is the molecular weight of 倒捻子素?
The molecular weight of 倒捻子素 is 318.00 g/mol.
Where can I buy 倒捻子素?
You can request a quote for 倒捻子素 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 倒捻子素?
Yes, KEHONG BIO provides custom synthesis services for 倒捻子素 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.