(6-chloro-4H-1,3-benzodioxin-8-yl)acetonitrile
TL;DR: (6-chloro-4H-1,3-benzodioxin-8-yl)acetonitrile (CAS 294853-23-9) is a chemical compound with molecular formula C10H8ClNO2 and molecular weight 209.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(6-chloro-4H-1,3-benzodioxin-8-yl)acetonitrile
Also Known As: IFLab1_000391, IDI1_008610, (6-chloro-4H-1,3-benzodioxin-8-yl)acetonitrile, 2-(6-chloro-4H-1,3-benzodioxin-8-yl)acetonitrile, 2-(6-chloro-2,4-dihydro-1,3-benzodioxin-8-yl)acetonitrile
| Molecular Formula | C10H8ClNO2 |
|---|---|
| Molecular Weight | 209.02 g/mol |
| LogP | 2.27258 |
| Topological Polar Surface Area | 42.25 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 209.02435 |
| Heavy Atoms | 14 |
| Complexity | 397.84384 |
Chemical Identifiers
| CAS Number | 294853-23-9 |
|---|---|
| SMILES | C1C2=C(C(=CC(=C2)Cl)CC#N)OCO1 |
Product Overview
(6-chloro-4H-1,3-benzodioxin-8-yl)acetonitrile (CAS 294853-23-9), with molecular formula C10H8ClNO2 and molecular weight 209.02 g/mol. IUPAC: 2-(6-chloro-4H-1,3-benzodioxin-8-yl)acetonitrile.
Chemical Property Profile of (6-chloro-4H-1,3-benzodioxin-8-yl)acetonitrile
Property Insights of (6-chloro-4H-1,3-benzodioxin-8-yl)acetonitrile
The XLogP value of 2.27258 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (6-chloro-4H-1,3-benzodioxin-8-yl)acetonitrile. With a topological polar surface area (TPSA) of 42.25 Ų, (6-chloro-4H-1,3-benzodioxin-8-yl)acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (6-chloro-4H-1,3-benzodioxin-8-yl)acetonitrile 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 (6-chloro-4H-1,3-benzodioxin-8-yl)acetonitrile?
The CAS number of (6-chloro-4H-1,3-benzodioxin-8-yl)acetonitrile is 294853-23-9.
What is the molecular formula of (6-chloro-4H-1,3-benzodioxin-8-yl)acetonitrile?
The molecular formula of (6-chloro-4H-1,3-benzodioxin-8-yl)acetonitrile is C10H8ClNO2.
What is the molecular weight of (6-chloro-4H-1,3-benzodioxin-8-yl)acetonitrile?
The molecular weight of (6-chloro-4H-1,3-benzodioxin-8-yl)acetonitrile is 209.02 g/mol.
Where can I buy (6-chloro-4H-1,3-benzodioxin-8-yl)acetonitrile?
You can request a quote for (6-chloro-4H-1,3-benzodioxin-8-yl)acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (6-chloro-4H-1,3-benzodioxin-8-yl)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for (6-chloro-4H-1,3-benzodioxin-8-yl)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.