2,3,4,5,6-Pentachlorophenol; 3-(prop-2-enylamino)propanenitrile
TL;DR: 2,3,4,5,6-Pentachlorophenol; 3-(prop-2-enylamino)propanenitrile (CAS 963-40-6) is a chemical compound with molecular formula C12H11Cl5N2O and molecular weight 373.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3,4,5,6-pentachlorophenol;3-(prop-2-enylamino)propanenitrile
Also Known As: 2,3,4,5,6-pentachlorophenol; 3-(prop-2-enylamino)propanenitrile, 2,3,4,5,6-pentachlorophenol,3-(prop-2-enylamino)propanenitrile, 3-(prop-2-en-1-ylamino)propanenitrile- pentachlorophenol(1:1), 3-[(Prop-2-en-1-yl)amino]propanenitrile--pentachlorophenol (1/1)
| Molecular Formula | C12H11Cl5N2O |
|---|---|
| Molecular Weight | 373.93 g/mol |
| LogP | 5.33488 |
| Topological Polar Surface Area | 56.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 373.9314 |
| Heavy Atoms | 20 |
| Complexity | 248.0 |
Chemical Identifiers
| CAS Number | 963-40-6 |
|---|---|
| SMILES | C=CCNCCC#N.C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)O |
| InChIKey | YHEIJDFHYNZTAS-UHFFFAOYSA-N |
Product Overview
2,3,4,5,6-Pentachlorophenol; 3-(prop-2-enylamino)propanenitrile (CAS 963-40-6), with molecular formula C12H11Cl5N2O and molecular weight 373.93 g/mol. IUPAC: 2,3,4,5,6-pentachlorophenol;3-(prop-2-enylamino)propanenitrile.
Chemical Property Profile of 2,3,4,5,6-Pentachlorophenol; 3-(prop-2-enylamino)propanenitrile
Property Insights of 2,3,4,5,6-Pentachlorophenol; 3-(prop-2-enylamino)propanenitrile
The XLogP value of 5.33488 indicates that 2,3,4,5,6-Pentachlorophenol; 3-(prop-2-enylamino)propanenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.1 Ų, 2,3,4,5,6-Pentachlorophenol; 3-(prop-2-enylamino)propanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3,4,5,6-Pentachlorophenol; 3-(prop-2-enylamino)propanenitrile has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,3,4,5,6-Pentachlorophenol; 3-(prop-2-enylamino)propanenitrile?
The CAS number of 2,3,4,5,6-Pentachlorophenol; 3-(prop-2-enylamino)propanenitrile is 963-40-6.
What is the molecular formula of 2,3,4,5,6-Pentachlorophenol; 3-(prop-2-enylamino)propanenitrile?
The molecular formula of 2,3,4,5,6-Pentachlorophenol; 3-(prop-2-enylamino)propanenitrile is C12H11Cl5N2O.
What is the molecular weight of 2,3,4,5,6-Pentachlorophenol; 3-(prop-2-enylamino)propanenitrile?
The molecular weight of 2,3,4,5,6-Pentachlorophenol; 3-(prop-2-enylamino)propanenitrile is 373.93 g/mol.
Where can I buy 2,3,4,5,6-Pentachlorophenol; 3-(prop-2-enylamino)propanenitrile?
You can request a quote for 2,3,4,5,6-Pentachlorophenol; 3-(prop-2-enylamino)propanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3,4,5,6-Pentachlorophenol; 3-(prop-2-enylamino)propanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 2,3,4,5,6-Pentachlorophenol; 3-(prop-2-enylamino)propanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.