N-(2-cyanoethyl)-N-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)benzamide
TL;DR: N-(2-cyanoethyl)-N-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)benzamide (CAS 334505-29-2) is a chemical compound with molecular formula C19H18N2O3 and molecular weight 322.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-cyanoethyl)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)benzamide
Also Known As: CBKinase1_000646, CBKinase1_013046, BAS 01322395, N-(2-cyanoethyl)-N-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)benzamide, AJ-292/12784034
| Molecular Formula | C19H18N2O3 |
|---|---|
| Molecular Weight | 322.13 g/mol |
| LogP | 2.88248 |
| Topological Polar Surface Area | 62.56 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 322.13174 |
| Heavy Atoms | 24 |
| Complexity | 739.77716 |
Chemical Identifiers
| CAS Number | 334505-29-2 |
|---|---|
| SMILES | C1C(OC2=CC=CC=C2O1)CN(CCC#N)C(=O)C3=CC=CC=C3 |
Product Overview
N-(2-cyanoethyl)-N-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)benzamide (CAS 334505-29-2), with molecular formula C19H18N2O3 and molecular weight 322.13 g/mol. IUPAC: N-(2-cyanoethyl)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)benzamide.
Chemical Property Profile of N-(2-cyanoethyl)-N-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)benzamide
Property Insights of N-(2-cyanoethyl)-N-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)benzamide
The XLogP value of 2.88248 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2-cyanoethyl)-N-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)benzamide. The TPSA of 62.56 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-cyanoethyl)-N-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)benzamide. Following Lipinski's Rule of Five, N-(2-cyanoethyl)-N-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)benzamide 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 N-(2-cyanoethyl)-N-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)benzamide?
The CAS number of N-(2-cyanoethyl)-N-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)benzamide is 334505-29-2.
What is the molecular formula of N-(2-cyanoethyl)-N-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)benzamide?
The molecular formula of N-(2-cyanoethyl)-N-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)benzamide is C19H18N2O3.
What is the molecular weight of N-(2-cyanoethyl)-N-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)benzamide?
The molecular weight of N-(2-cyanoethyl)-N-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)benzamide is 322.13 g/mol.
Where can I buy N-(2-cyanoethyl)-N-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)benzamide?
You can request a quote for N-(2-cyanoethyl)-N-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-cyanoethyl)-N-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2-cyanoethyl)-N-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.