4-(Dimethylamino)benzoyl cyanide
TL;DR: 4-(Dimethylamino)benzoyl cyanide (CAS 40591-10-4) is a chemical compound with molecular formula C10H10N2O and molecular weight 174.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(dimethylamino)benzoyl cyanide
Also Known As: 4-(dimethylamino)benzoyl cyanide, 4-Dimethylamino-benzoylcyanid, [4-(Dimethylamino)phenyl]formyl cyanide, [4-(dimethylamino)phenyl](oxo)acetonitrile, 4-(Dimethylamino)benzene-1-carbonyl cyanide
| Molecular Formula | C10H10N2O |
|---|---|
| Molecular Weight | 174.08 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 44.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 174.07932 |
| Heavy Atoms | 13 |
| Complexity | 231.0 |
Chemical Identifiers
| CAS Number | 40591-10-4 |
|---|---|
| SMILES | CN(C)C1=CC=C(C=C1)C(=O)C#N |
| InChIKey | KYZSCBLSHUOGCZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(Dimethylamino)benzoyl cyanide (CAS 40591-10-4), with molecular formula C10H10N2O and molecular weight 174.08 g/mol. IUPAC: 4-(dimethylamino)benzoyl cyanide.
Chemical Property Profile of 4-(Dimethylamino)benzoyl cyanide
Property Insights of 4-(Dimethylamino)benzoyl cyanide
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Dimethylamino)benzoyl cyanide. With a topological polar surface area (TPSA) of 44.1 Ų, 4-(Dimethylamino)benzoyl cyanide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Dimethylamino)benzoyl cyanide 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)benzoyl cyanide?
The CAS number of 4-(Dimethylamino)benzoyl cyanide is 40591-10-4.
What is the molecular formula of 4-(Dimethylamino)benzoyl cyanide?
The molecular formula of 4-(Dimethylamino)benzoyl cyanide is C10H10N2O.
What is the molecular weight of 4-(Dimethylamino)benzoyl cyanide?
The molecular weight of 4-(Dimethylamino)benzoyl cyanide is 174.08 g/mol.
Where can I buy 4-(Dimethylamino)benzoyl cyanide?
You can request a quote for 4-(Dimethylamino)benzoyl cyanide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Dimethylamino)benzoyl cyanide?
Yes, KEHONG BIO provides custom synthesis services for 4-(Dimethylamino)benzoyl cyanide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.