![3,3'-[(4-甲酰苯基)亚氨基]二丙腈 structure](/static/products/1735/17354-79-9.webp)
3,3'-[(4-甲酰苯基)亚氨基]二丙腈
TL;DR: 3,3'-[(4-甲酰苯基)亚氨基]二丙腈 (CAS 17354-79-9) is a chemical compound with molecular formula C13H13N3O and molecular weight 227.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3'-[(4-甲酰苯基)亚氨基]二丙腈
3-[N-(2-cyanoethyl)-4-formylanilino]propanenitrile
Also Known As: p-[Bis(2-cyanoethyl)amino]benzaldehyde, p-Bis(beta-cyanoethyl)aminobenzaldehyde, Propanenitrile, 3,3'-[(4-formylphenyl)imino]bis-, 4-(Bis(2-cyanoethyl)amino)benzaldehyde, 4-[Bis(2-cyanoethyl)amino]benzaldehyde
| Molecular Formula | C13H13N3O |
|---|---|
| Molecular Weight | 227.11 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 67.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 227.10587 |
| Heavy Atoms | 17 |
| Complexity | 307.0 |
Chemical Identifiers
| CAS Number | 17354-79-9 |
|---|---|
| SMILES | C1=CC(=CC=C1C=O)N(CCC#N)CCC#N |
| InChIKey | VWILPRABHZNINB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,3'-[(4-甲酰苯基)亚氨基]二丙腈 (CAS 17354-79-9), with molecular formula C13H13N3O and molecular weight 227.11 g/mol. IUPAC: 3-[N-(2-cyanoethyl)-4-formylanilino]propanenitrile.
Chemical Property Profile of 3,3'-[(4-甲酰苯基)亚氨基]二丙腈
Property Insights of 3,3'-[(4-甲酰苯基)亚氨基]二丙腈
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,3'-[(4-甲酰苯基)亚氨基]二丙腈. The TPSA of 67.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,3'-[(4-甲酰苯基)亚氨基]二丙腈. Following Lipinski's Rule of Five, 3,3'-[(4-甲酰苯基)亚氨基]二丙腈 has 0 hydrogen bond donor(s) and 4 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'-[(4-甲酰苯基)亚氨基]二丙腈?
The CAS number of 3,3'-[(4-甲酰苯基)亚氨基]二丙腈 is 17354-79-9.
What is the molecular formula of 3,3'-[(4-甲酰苯基)亚氨基]二丙腈?
The molecular formula of 3,3'-[(4-甲酰苯基)亚氨基]二丙腈 is C13H13N3O.
What is the molecular weight of 3,3'-[(4-甲酰苯基)亚氨基]二丙腈?
The molecular weight of 3,3'-[(4-甲酰苯基)亚氨基]二丙腈 is 227.11 g/mol.
Where can I buy 3,3'-[(4-甲酰苯基)亚氨基]二丙腈?
You can request a quote for 3,3'-[(4-甲酰苯基)亚氨基]二丙腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3'-[(4-甲酰苯基)亚氨基]二丙腈?
Yes, KEHONG BIO provides custom synthesis services for 3,3'-[(4-甲酰苯基)亚氨基]二丙腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.