2-乙酰基-2-甲基丁二腈
TL;DR: 2-乙酰基-2-甲基丁二腈 (CAS 82471-44-1) is a chemical compound with molecular formula C7H8N2O and molecular weight 136.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-乙酰基-2-甲基丁二腈
2-acetyl-2-methylbutanedinitrile
Also Known As: 2-Acetyl-2-methyl-succinonitrile, 2-acetyl-2-methylbutanedinitrile, Butanedinitrile,2-acetyl-2-methyl-, BUTANEDINITRILE, 2-ACETYL-2-METHYL-, Butanedinitrile, 2-acetyl-2-methyl- (9CI)
| Molecular Formula | C7H8N2O |
|---|---|
| Molecular Weight | 136.06 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 64.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 136.06366 |
| Heavy Atoms | 10 |
| Complexity | 239.0 |
Chemical Identifiers
| CAS Number | 82471-44-1 |
|---|---|
| SMILES | CC(=O)C(C)(CC#N)C#N |
| InChIKey | KSNOOUANCWTRHQ-UHFFFAOYSA-N |
Product Overview
2-乙酰基-2-甲基丁二腈 (CAS 82471-44-1), with molecular formula C7H8N2O and molecular weight 136.06 g/mol. IUPAC: 2-acetyl-2-methylbutanedinitrile.
Chemical Property Profile of 2-乙酰基-2-甲基丁二腈
Property Insights of 2-乙酰基-2-甲基丁二腈
The XLogP value of -0.1 indicates that 2-乙酰基-2-甲基丁二腈 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 64.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-乙酰基-2-甲基丁二腈. Following Lipinski's Rule of Five, 2-乙酰基-2-甲基丁二腈 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 2-乙酰基-2-甲基丁二腈?
The CAS number of 2-乙酰基-2-甲基丁二腈 is 82471-44-1.
What is the molecular formula of 2-乙酰基-2-甲基丁二腈?
The molecular formula of 2-乙酰基-2-甲基丁二腈 is C7H8N2O.
What is the molecular weight of 2-乙酰基-2-甲基丁二腈?
The molecular weight of 2-乙酰基-2-甲基丁二腈 is 136.06 g/mol.
Where can I buy 2-乙酰基-2-甲基丁二腈?
You can request a quote for 2-乙酰基-2-甲基丁二腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-乙酰基-2-甲基丁二腈?
Yes, KEHONG BIO provides custom synthesis services for 2-乙酰基-2-甲基丁二腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.