4-Chloro-5-(3,5-dimethyl-1-piperidinyl)phthalonitrile
TL;DR: 4-Chloro-5-(3,5-dimethyl-1-piperidinyl)phthalonitrile (CAS 355435-40-4) is a chemical compound with molecular formula C15H16ClN3 and molecular weight 273.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-5-(3,5-dimethylpiperidin-1-yl)benzene-1,2-dicarbonitrile
Also Known As: 4-chloro-5-(3,5-dimethyl-1-piperidinyl)phthalonitrile, 4-chloro-5-(3,5-dimethylpiperidin-1-yl)benzene-1,2-dicarbonitrile
| Molecular Formula | C15H16ClN3 |
|---|---|
| Molecular Weight | 273.10 g/mol |
| LogP | 3.56566 |
| Topological Polar Surface Area | 50.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 273.10327 |
| Heavy Atoms | 19 |
| Complexity | 557.979 |
Chemical Identifiers
| CAS Number | 355435-40-4 |
|---|---|
| SMILES | CC1CC(CN(C1)C2=C(C=C(C(=C2)C#N)C#N)Cl)C |
Product Overview
4-Chloro-5-(3,5-dimethyl-1-piperidinyl)phthalonitrile (CAS 355435-40-4), with molecular formula C15H16ClN3 and molecular weight 273.10 g/mol. IUPAC: 4-chloro-5-(3,5-dimethylpiperidin-1-yl)benzene-1,2-dicarbonitrile.
Chemical Property Profile of 4-Chloro-5-(3,5-dimethyl-1-piperidinyl)phthalonitrile
Property Insights of 4-Chloro-5-(3,5-dimethyl-1-piperidinyl)phthalonitrile
The XLogP value of 3.56566 indicates that 4-Chloro-5-(3,5-dimethyl-1-piperidinyl)phthalonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.82 Ų, 4-Chloro-5-(3,5-dimethyl-1-piperidinyl)phthalonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-5-(3,5-dimethyl-1-piperidinyl)phthalonitrile 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 4-Chloro-5-(3,5-dimethyl-1-piperidinyl)phthalonitrile?
The CAS number of 4-Chloro-5-(3,5-dimethyl-1-piperidinyl)phthalonitrile is 355435-40-4.
What is the molecular formula of 4-Chloro-5-(3,5-dimethyl-1-piperidinyl)phthalonitrile?
The molecular formula of 4-Chloro-5-(3,5-dimethyl-1-piperidinyl)phthalonitrile is C15H16ClN3.
What is the molecular weight of 4-Chloro-5-(3,5-dimethyl-1-piperidinyl)phthalonitrile?
The molecular weight of 4-Chloro-5-(3,5-dimethyl-1-piperidinyl)phthalonitrile is 273.10 g/mol.
Where can I buy 4-Chloro-5-(3,5-dimethyl-1-piperidinyl)phthalonitrile?
You can request a quote for 4-Chloro-5-(3,5-dimethyl-1-piperidinyl)phthalonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro-5-(3,5-dimethyl-1-piperidinyl)phthalonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-5-(3,5-dimethyl-1-piperidinyl)phthalonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.