![4-[(Dimethylamino)methylidene]pent-2-enedinitrile structure](/static/products/928/92875-89-3.png)
4-[(Dimethylamino)methylidene]pent-2-enedinitrile
TL;DR: 4-[(Dimethylamino)methylidene]pent-2-enedinitrile (CAS 92875-89-3) is a chemical compound with molecular formula C8H9N3 and molecular weight 147.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(dimethylaminomethylidene)pent-2-enedinitrile
Also Known As: Neratinib Impurity 122, dimethylaminomethylene-glutacononitrile, 4-[(dimethylamino)methylene]-2-pentenedinitrile, 4-(dimethylaminomethylidene)pent-2-enedinitrile, 4-[(DIMETHYLAMINO)METHYLIDENE]PENT-2-ENEDINITRILE
| Molecular Formula | C8H9N3 |
|---|---|
| Molecular Weight | 147.08 g/mol |
| LogP | 1.03526 |
| Topological Polar Surface Area | 50.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 147.07965 |
| Heavy Atoms | 11 |
| Complexity | 247.49118 |
Chemical Identifiers
| CAS Number | 92875-89-3 |
|---|---|
| SMILES | CN(C)C=C(C=CC#N)C#N |
Product Overview
4-[(Dimethylamino)methylidene]pent-2-enedinitrile (CAS 92875-89-3), with molecular formula C8H9N3 and molecular weight 147.08 g/mol. IUPAC: 4-(dimethylaminomethylidene)pent-2-enedinitrile.
Chemical Property Profile of 4-[(Dimethylamino)methylidene]pent-2-enedinitrile
Property Insights of 4-[(Dimethylamino)methylidene]pent-2-enedinitrile
The XLogP value of 1.03526 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(Dimethylamino)methylidene]pent-2-enedinitrile. With a topological polar surface area (TPSA) of 50.82 Ų, 4-[(Dimethylamino)methylidene]pent-2-enedinitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[(Dimethylamino)methylidene]pent-2-enedinitrile 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-[(Dimethylamino)methylidene]pent-2-enedinitrile?
The CAS number of 4-[(Dimethylamino)methylidene]pent-2-enedinitrile is 92875-89-3.
What is the molecular formula of 4-[(Dimethylamino)methylidene]pent-2-enedinitrile?
The molecular formula of 4-[(Dimethylamino)methylidene]pent-2-enedinitrile is C8H9N3.
What is the molecular weight of 4-[(Dimethylamino)methylidene]pent-2-enedinitrile?
The molecular weight of 4-[(Dimethylamino)methylidene]pent-2-enedinitrile is 147.08 g/mol.
Where can I buy 4-[(Dimethylamino)methylidene]pent-2-enedinitrile?
You can request a quote for 4-[(Dimethylamino)methylidene]pent-2-enedinitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(Dimethylamino)methylidene]pent-2-enedinitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-[(Dimethylamino)methylidene]pent-2-enedinitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.