1,3,5-Pentanetricarbonitrile, 3-phenyl-
TL;DR: 1,3,5-Pentanetricarbonitrile, 3-phenyl- (CAS 16320-20-0) is a chemical compound with molecular formula C14H13N3 and molecular weight 223.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-phenylpentane-1,3,5-tricarbonitrile
Also Known As: 3-Phenyl-1,3,5-pentanetricarbonitrile, 3-phenylpentane-1,3,5-tricarbonitrile, Maybridge1_002100, NCIOpen2_004732, 1,3,5-Pentanetricarbonitrile, 3-phenyl-
| Molecular Formula | C14H13N3 |
|---|---|
| Molecular Weight | 223.11 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 71.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 223.11095 |
| Heavy Atoms | 17 |
| Complexity | 357.0 |
Chemical Identifiers
| CAS Number | 16320-20-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(CCC#N)(CCC#N)C#N |
| InChIKey | KVDYEBISIZWSRT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3,5-Pentanetricarbonitrile, 3-phenyl- (CAS 16320-20-0), with molecular formula C14H13N3 and molecular weight 223.11 g/mol. IUPAC: 3-phenylpentane-1,3,5-tricarbonitrile.
Chemical Property Profile of 1,3,5-Pentanetricarbonitrile, 3-phenyl-
Property Insights of 1,3,5-Pentanetricarbonitrile, 3-phenyl-
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3,5-Pentanetricarbonitrile, 3-phenyl-. The TPSA of 71.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3,5-Pentanetricarbonitrile, 3-phenyl-. Following Lipinski's Rule of Five, 1,3,5-Pentanetricarbonitrile, 3-phenyl- 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 1,3,5-Pentanetricarbonitrile, 3-phenyl-?
The CAS number of 1,3,5-Pentanetricarbonitrile, 3-phenyl- is 16320-20-0.
What is the molecular formula of 1,3,5-Pentanetricarbonitrile, 3-phenyl-?
The molecular formula of 1,3,5-Pentanetricarbonitrile, 3-phenyl- is C14H13N3.
What is the molecular weight of 1,3,5-Pentanetricarbonitrile, 3-phenyl-?
The molecular weight of 1,3,5-Pentanetricarbonitrile, 3-phenyl- is 223.11 g/mol.
Where can I buy 1,3,5-Pentanetricarbonitrile, 3-phenyl-?
You can request a quote for 1,3,5-Pentanetricarbonitrile, 3-phenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3,5-Pentanetricarbonitrile, 3-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for 1,3,5-Pentanetricarbonitrile, 3-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.