3,3-Dimethylpentanedinitrile
TL;DR: 3,3-Dimethylpentanedinitrile (CAS 28326-02-5) is a chemical compound with molecular formula C7H10N2 and molecular weight 122.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3-dimethylpentanedinitrile
Also Known As: 3,3-dimethylpentanedinitrile, NCIOpen2_002081, Pentanedinitrile,3,3-dimethyl-, Pentanedinitrile, 3,3-dimethyl-, RefChem:270430
| Molecular Formula | C7H10N2 |
|---|---|
| Molecular Weight | 122.08 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 122.0844 |
| Heavy Atoms | 9 |
| Complexity | 154.0 |
Chemical Identifiers
| CAS Number | 28326-02-5 |
|---|---|
| SMILES | CC(C)(CC#N)CC#N |
| InChIKey | BXMUYUTXXSJYHR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,3-Dimethylpentanedinitrile (CAS 28326-02-5), with molecular formula C7H10N2 and molecular weight 122.08 g/mol. IUPAC: 3,3-dimethylpentanedinitrile.
Chemical Property Profile of 3,3-Dimethylpentanedinitrile
Property Insights of 3,3-Dimethylpentanedinitrile
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,3-Dimethylpentanedinitrile. With a topological polar surface area (TPSA) of 47.6 Ų, 3,3-Dimethylpentanedinitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3-Dimethylpentanedinitrile 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 3,3-Dimethylpentanedinitrile?
The CAS number of 3,3-Dimethylpentanedinitrile is 28326-02-5.
What is the molecular formula of 3,3-Dimethylpentanedinitrile?
The molecular formula of 3,3-Dimethylpentanedinitrile is C7H10N2.
What is the molecular weight of 3,3-Dimethylpentanedinitrile?
The molecular weight of 3,3-Dimethylpentanedinitrile is 122.08 g/mol.
Where can I buy 3,3-Dimethylpentanedinitrile?
You can request a quote for 3,3-Dimethylpentanedinitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3-Dimethylpentanedinitrile?
Yes, KEHONG BIO provides custom synthesis services for 3,3-Dimethylpentanedinitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.