![(5'-bromo-2'-oxospiro[1,3-dioxolane-2,3'-indol]-1'(2'H)-yl)acetonitrile structure](/static/products/883/883650-88-2.png)
(5'-bromo-2'-oxospiro[1,3-dioxolane-2,3'-indol]-1'(2'H)-yl)acetonitrile
TL;DR: (5'-bromo-2'-oxospiro[1,3-dioxolane-2,3'-indol]-1'(2'H)-yl)acetonitrile (CAS 883650-88-2) is a chemical compound with molecular formula C12H9BrN2O3 and molecular weight 307.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(5'-bromo-2'-oxospiro[1,3-dioxolane-2,3'-indole]-1'-yl)acetonitrile
Also Known As: AS-871/43468706, (5'-bromo-2'-oxospiro[1,3-dioxolane-2,3'-indol]-1'(2'H)-yl)acetonitrile, 2-(5'-bromo-2'-oxospiro[1,3-dioxolane-2,3'-indole]-1'-yl)acetonitrile, 2-(10-bromo-7-oxospiro[1,3-dioxolane-2,3'-indoline]-6-yl)ethanenitrile, {5'-bromo-2'-oxo-1',2'-dihydrospiro([1,3]dioxolane-2,3'-indole)-1'-yl}acetonitrile
| Molecular Formula | C12H9BrN2O3 |
|---|---|
| Molecular Weight | 307.98 g/mol |
| LogP | 1.51888 |
| Topological Polar Surface Area | 62.56 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 307.97964 |
| Heavy Atoms | 18 |
| Complexity | 560.9312 |
Chemical Identifiers
| CAS Number | 883650-88-2 |
|---|---|
| SMILES | C1COC2(O1)C3=C(C=CC(=C3)Br)N(C2=O)CC#N |
Product Overview
(5'-bromo-2'-oxospiro[1,3-dioxolane-2,3'-indol]-1'(2'H)-yl)acetonitrile (CAS 883650-88-2), with molecular formula C12H9BrN2O3 and molecular weight 307.98 g/mol. IUPAC: 2-(5'-bromo-2'-oxospiro[1,3-dioxolane-2,3'-indole]-1'-yl)acetonitrile.
Chemical Property Profile of (5'-bromo-2'-oxospiro[1,3-dioxolane-2,3'-indol]-1'(2'H)-yl)acetonitrile
Property Insights of (5'-bromo-2'-oxospiro[1,3-dioxolane-2,3'-indol]-1'(2'H)-yl)acetonitrile
The XLogP value of 1.51888 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (5'-bromo-2'-oxospiro[1,3-dioxolane-2,3'-indol]-1'(2'H)-yl)acetonitrile. The TPSA of 62.56 Ų falls within the moderate polarity range, balancing permeability and solubility for (5'-bromo-2'-oxospiro[1,3-dioxolane-2,3'-indol]-1'(2'H)-yl)acetonitrile. Following Lipinski's Rule of Five, (5'-bromo-2'-oxospiro[1,3-dioxolane-2,3'-indol]-1'(2'H)-yl)acetonitrile 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 (5'-bromo-2'-oxospiro[1,3-dioxolane-2,3'-indol]-1'(2'H)-yl)acetonitrile?
The CAS number of (5'-bromo-2'-oxospiro[1,3-dioxolane-2,3'-indol]-1'(2'H)-yl)acetonitrile is 883650-88-2.
What is the molecular formula of (5'-bromo-2'-oxospiro[1,3-dioxolane-2,3'-indol]-1'(2'H)-yl)acetonitrile?
The molecular formula of (5'-bromo-2'-oxospiro[1,3-dioxolane-2,3'-indol]-1'(2'H)-yl)acetonitrile is C12H9BrN2O3.
What is the molecular weight of (5'-bromo-2'-oxospiro[1,3-dioxolane-2,3'-indol]-1'(2'H)-yl)acetonitrile?
The molecular weight of (5'-bromo-2'-oxospiro[1,3-dioxolane-2,3'-indol]-1'(2'H)-yl)acetonitrile is 307.98 g/mol.
Where can I buy (5'-bromo-2'-oxospiro[1,3-dioxolane-2,3'-indol]-1'(2'H)-yl)acetonitrile?
You can request a quote for (5'-bromo-2'-oxospiro[1,3-dioxolane-2,3'-indol]-1'(2'H)-yl)acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (5'-bromo-2'-oxospiro[1,3-dioxolane-2,3'-indol]-1'(2'H)-yl)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for (5'-bromo-2'-oxospiro[1,3-dioxolane-2,3'-indol]-1'(2'H)-yl)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.