3-(4-Methoxyphenyl)pentane-1,3,5-tricarbonitrile
TL;DR: 3-(4-Methoxyphenyl)pentane-1,3,5-tricarbonitrile (CAS 5970-95-6) is a chemical compound with molecular formula C15H15N3O and molecular weight 253.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-methoxyphenyl)pentane-1,3,5-tricarbonitrile
Also Known As: Maybridge1_003555, 3-(4-methoxyphenyl)pentane-1,3,5-tricarbonitrile, 3-(4-methoxyphenyl)-1,3,5-pentanetricarbonitrile, AB00089973-01, AJ-292/11336374
| Molecular Formula | C15H15N3O |
|---|---|
| Molecular Weight | 253.12 g/mol |
| LogP | 3.06414 |
| Topological Polar Surface Area | 80.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 253.1215 |
| Heavy Atoms | 19 |
| Complexity | 510.4847 |
Chemical Identifiers
| CAS Number | 5970-95-6 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(CCC#N)(CCC#N)C#N |
Product Overview
3-(4-Methoxyphenyl)pentane-1,3,5-tricarbonitrile (CAS 5970-95-6), with molecular formula C15H15N3O and molecular weight 253.12 g/mol. IUPAC: 3-(4-methoxyphenyl)pentane-1,3,5-tricarbonitrile.
Chemical Property Profile of 3-(4-Methoxyphenyl)pentane-1,3,5-tricarbonitrile
Property Insights of 3-(4-Methoxyphenyl)pentane-1,3,5-tricarbonitrile
The XLogP value of 3.06414 indicates that 3-(4-Methoxyphenyl)pentane-1,3,5-tricarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-Methoxyphenyl)pentane-1,3,5-tricarbonitrile. Following Lipinski's Rule of Five, 3-(4-Methoxyphenyl)pentane-1,3,5-tricarbonitrile has 0 hydrogen bond donor(s) and 4 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 3-(4-Methoxyphenyl)pentane-1,3,5-tricarbonitrile?
The CAS number of 3-(4-Methoxyphenyl)pentane-1,3,5-tricarbonitrile is 5970-95-6.
What is the molecular formula of 3-(4-Methoxyphenyl)pentane-1,3,5-tricarbonitrile?
The molecular formula of 3-(4-Methoxyphenyl)pentane-1,3,5-tricarbonitrile is C15H15N3O.
What is the molecular weight of 3-(4-Methoxyphenyl)pentane-1,3,5-tricarbonitrile?
The molecular weight of 3-(4-Methoxyphenyl)pentane-1,3,5-tricarbonitrile is 253.12 g/mol.
Where can I buy 3-(4-Methoxyphenyl)pentane-1,3,5-tricarbonitrile?
You can request a quote for 3-(4-Methoxyphenyl)pentane-1,3,5-tricarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Methoxyphenyl)pentane-1,3,5-tricarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Methoxyphenyl)pentane-1,3,5-tricarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.