2-Chloro-3-morpholin-4-yl-3-phenylprop-2-enenitrile
TL;DR: 2-Chloro-3-morpholin-4-yl-3-phenylprop-2-enenitrile (CAS 79676-13-4) is a chemical compound with molecular formula C13H13ClN2O and molecular weight 248.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-3-morpholin-4-yl-3-phenylprop-2-enenitrile
Also Known As: 1-(4-methyl-3-nitrophenyl)guanidine nitrate, 2-chloro-3-morpholin-4-yl-3-phenyl-prop-2-enenitrile, 2-chloro-3-morpholin-4-yl-3-phenylprop-2-enenitrile
| Molecular Formula | C13H13ClN2O |
|---|---|
| Molecular Weight | 248.07 g/mol |
| LogP | 2.44978 |
| Topological Polar Surface Area | 36.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 248.07164 |
| Heavy Atoms | 17 |
| Complexity | 444.2373 |
Chemical Identifiers
| CAS Number | 79676-13-4 |
|---|---|
| SMILES | C1COCCN1C(=C(C#N)Cl)C2=CC=CC=C2 |
Product Overview
2-Chloro-3-morpholin-4-yl-3-phenylprop-2-enenitrile (CAS 79676-13-4), with molecular formula C13H13ClN2O and molecular weight 248.07 g/mol. IUPAC: 2-chloro-3-morpholin-4-yl-3-phenylprop-2-enenitrile.
Chemical Property Profile of 2-Chloro-3-morpholin-4-yl-3-phenylprop-2-enenitrile
Property Insights of 2-Chloro-3-morpholin-4-yl-3-phenylprop-2-enenitrile
The XLogP value of 2.44978 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloro-3-morpholin-4-yl-3-phenylprop-2-enenitrile. With a topological polar surface area (TPSA) of 36.26 Ų, 2-Chloro-3-morpholin-4-yl-3-phenylprop-2-enenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-3-morpholin-4-yl-3-phenylprop-2-enenitrile 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 2-Chloro-3-morpholin-4-yl-3-phenylprop-2-enenitrile?
The CAS number of 2-Chloro-3-morpholin-4-yl-3-phenylprop-2-enenitrile is 79676-13-4.
What is the molecular formula of 2-Chloro-3-morpholin-4-yl-3-phenylprop-2-enenitrile?
The molecular formula of 2-Chloro-3-morpholin-4-yl-3-phenylprop-2-enenitrile is C13H13ClN2O.
What is the molecular weight of 2-Chloro-3-morpholin-4-yl-3-phenylprop-2-enenitrile?
The molecular weight of 2-Chloro-3-morpholin-4-yl-3-phenylprop-2-enenitrile is 248.07 g/mol.
Where can I buy 2-Chloro-3-morpholin-4-yl-3-phenylprop-2-enenitrile?
You can request a quote for 2-Chloro-3-morpholin-4-yl-3-phenylprop-2-enenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-3-morpholin-4-yl-3-phenylprop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-3-morpholin-4-yl-3-phenylprop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.