4-(二甲氨基)-2-苯基丁腈
TL;DR: 4-(二甲氨基)-2-苯基丁腈 (CAS 50599-78-5) is a chemical compound with molecular formula C12H16N2 and molecular weight 188.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(二甲氨基)-2-苯基丁腈
4-(dimethylamino)-2-phenylbutanenitrile
Also Known As: 4-(Dimethylamino)-2-phenylbutyronitrile, 4-(dimethylamino)-2-phenylbutanenitrile, 4-Dimethylamino-2-phenylbutyronitrile, 4- -2-phenylbutyronitrile, 4-dimethylamino-2-phenylbutanenitrile
| Molecular Formula | C12H16N2 |
|---|---|
| Molecular Weight | 188.13 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 27.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 188.13135 |
| Heavy Atoms | 14 |
| Complexity | 196.0 |
Chemical Identifiers
| CAS Number | 50599-78-5 |
|---|---|
| SMILES | CN(C)CCC(C#N)C1=CC=CC=C1 |
| InChIKey | SKQMIWWQYUSWFP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(二甲氨基)-2-苯基丁腈 (CAS 50599-78-5), with molecular formula C12H16N2 and molecular weight 188.13 g/mol. IUPAC: 4-(dimethylamino)-2-phenylbutanenitrile.
Chemical Property Profile of 4-(二甲氨基)-2-苯基丁腈
Property Insights of 4-(二甲氨基)-2-苯基丁腈
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(二甲氨基)-2-苯基丁腈. With a topological polar surface area (TPSA) of 27.0 Ų, 4-(二甲氨基)-2-苯基丁腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(二甲氨基)-2-苯基丁腈 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 4-(二甲氨基)-2-苯基丁腈?
The CAS number of 4-(二甲氨基)-2-苯基丁腈 is 50599-78-5.
What is the molecular formula of 4-(二甲氨基)-2-苯基丁腈?
The molecular formula of 4-(二甲氨基)-2-苯基丁腈 is C12H16N2.
What is the molecular weight of 4-(二甲氨基)-2-苯基丁腈?
The molecular weight of 4-(二甲氨基)-2-苯基丁腈 is 188.13 g/mol.
Where can I buy 4-(二甲氨基)-2-苯基丁腈?
You can request a quote for 4-(二甲氨基)-2-苯基丁腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(二甲氨基)-2-苯基丁腈?
Yes, KEHONG BIO provides custom synthesis services for 4-(二甲氨基)-2-苯基丁腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.