![3-[(2,3-Dihydro-1,4-benzodioxin-6-yl)amino]propanenitrile structure](/static/products/7571/757192-66-8.webp)
3-[(2,3-Dihydro-1,4-benzodioxin-6-yl)amino]propanenitrile
TL;DR: 3-[(2,3-Dihydro-1,4-benzodioxin-6-yl)amino]propanenitrile (CAS 757192-66-8) is a chemical compound with molecular formula C11H12N2O2 and molecular weight 204.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)propanenitrile
Also Known As: 3-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]propanenitrile, 3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)propanenitrile, AB01106867-03, 3-(2,3-dihydro-1,4-benzodioxin-6-yl)aminopropanenitrile
| Molecular Formula | C11H12N2O2 |
|---|---|
| Molecular Weight | 204.09 g/mol |
| LogP | 1.78338 |
| Topological Polar Surface Area | 54.28 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 204.08987 |
| Heavy Atoms | 15 |
| Complexity | 384.66458 |
Chemical Identifiers
| CAS Number | 757192-66-8 |
|---|---|
| SMILES | C1COC2=C(O1)C=CC(=C2)NCCC#N |
Product Overview
3-[(2,3-Dihydro-1,4-benzodioxin-6-yl)amino]propanenitrile (CAS 757192-66-8), with molecular formula C11H12N2O2 and molecular weight 204.09 g/mol. IUPAC: 3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)propanenitrile.
Chemical Property Profile of 3-[(2,3-Dihydro-1,4-benzodioxin-6-yl)amino]propanenitrile
Property Insights of 3-[(2,3-Dihydro-1,4-benzodioxin-6-yl)amino]propanenitrile
The XLogP value of 1.78338 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(2,3-Dihydro-1,4-benzodioxin-6-yl)amino]propanenitrile. With a topological polar surface area (TPSA) of 54.28 Ų, 3-[(2,3-Dihydro-1,4-benzodioxin-6-yl)amino]propanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[(2,3-Dihydro-1,4-benzodioxin-6-yl)amino]propanenitrile has 1 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-[(2,3-Dihydro-1,4-benzodioxin-6-yl)amino]propanenitrile?
The CAS number of 3-[(2,3-Dihydro-1,4-benzodioxin-6-yl)amino]propanenitrile is 757192-66-8.
What is the molecular formula of 3-[(2,3-Dihydro-1,4-benzodioxin-6-yl)amino]propanenitrile?
The molecular formula of 3-[(2,3-Dihydro-1,4-benzodioxin-6-yl)amino]propanenitrile is C11H12N2O2.
What is the molecular weight of 3-[(2,3-Dihydro-1,4-benzodioxin-6-yl)amino]propanenitrile?
The molecular weight of 3-[(2,3-Dihydro-1,4-benzodioxin-6-yl)amino]propanenitrile is 204.09 g/mol.
Where can I buy 3-[(2,3-Dihydro-1,4-benzodioxin-6-yl)amino]propanenitrile?
You can request a quote for 3-[(2,3-Dihydro-1,4-benzodioxin-6-yl)amino]propanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(2,3-Dihydro-1,4-benzodioxin-6-yl)amino]propanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-[(2,3-Dihydro-1,4-benzodioxin-6-yl)amino]propanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.