3-(Diphenylmethyl)pentanedinitrile
TL;DR: 3-(Diphenylmethyl)pentanedinitrile (CAS 94208-72-7) is a chemical compound with molecular formula C18H16N2 and molecular weight 260.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzhydrylpentanedinitrile
Also Known As: 3-(diphenylmethyl)pentanedinitrile, 3-benzhydrylpentanedinitrile
| Molecular Formula | C18H16N2 |
|---|---|
| Molecular Weight | 260.13 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 260.13135 |
| Heavy Atoms | 20 |
| Complexity | 335.0 |
Chemical Identifiers
| CAS Number | 94208-72-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(C2=CC=CC=C2)C(CC#N)CC#N |
| InChIKey | NHOSDIPIEXZCIC-UHFFFAOYSA-N |
Product Overview
3-(Diphenylmethyl)pentanedinitrile (CAS 94208-72-7), with molecular formula C18H16N2 and molecular weight 260.13 g/mol. IUPAC: 3-benzhydrylpentanedinitrile.
Chemical Property Profile of 3-(Diphenylmethyl)pentanedinitrile
Property Insights of 3-(Diphenylmethyl)pentanedinitrile
The XLogP value of 3.3 indicates that 3-(Diphenylmethyl)pentanedinitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.6 Ų, 3-(Diphenylmethyl)pentanedinitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Diphenylmethyl)pentanedinitrile has 0 hydrogen bond donor(s) and 2 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-(Diphenylmethyl)pentanedinitrile?
The CAS number of 3-(Diphenylmethyl)pentanedinitrile is 94208-72-7.
What is the molecular formula of 3-(Diphenylmethyl)pentanedinitrile?
The molecular formula of 3-(Diphenylmethyl)pentanedinitrile is C18H16N2.
What is the molecular weight of 3-(Diphenylmethyl)pentanedinitrile?
The molecular weight of 3-(Diphenylmethyl)pentanedinitrile is 260.13 g/mol.
Where can I buy 3-(Diphenylmethyl)pentanedinitrile?
You can request a quote for 3-(Diphenylmethyl)pentanedinitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Diphenylmethyl)pentanedinitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(Diphenylmethyl)pentanedinitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.