异丙基丁二腈
TL;DR: 异丙基丁二腈 (CAS 1115-37-3) is a chemical compound with molecular formula CC(C)C(CC#N)C#N and molecular weight 122.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
异丙基丁二腈
2-propan-2-ylbutanedinitrile
Also Known As: Succinonitrile, isopropyl-, 2-isopropylsuccinonitrile, 2-isopropylbutanedinitrile, 2-isopropyl-butanedinitrile, 2-propan-2-ylbutanedinitrile
| Molecular Formula | CC(C)C(CC#N)C#N |
|---|---|
| Molecular Weight | 122.08 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 122.0844 |
| Heavy Atoms | 9 |
| Complexity | 164.0 |
Chemical Identifiers
| CAS Number | 1115-37-3 |
|---|---|
| SMILES | CC(C)C(CC#N)C#N |
| InChIKey | QZPWDZBGUWBAOQ-UHFFFAOYSA-N |
Product Overview
异丙基丁二腈 (CAS 1115-37-3), with molecular formula CC(C)C(CC#N)C#N and molecular weight 122.08 g/mol. IUPAC: 2-propan-2-ylbutanedinitrile.
Chemical Property Profile of 异丙基丁二腈
Property Insights of 异丙基丁二腈
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 异丙基丁二腈. With a topological polar surface area (TPSA) of 47.6 Ų, 异丙基丁二腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 异丙基丁二腈 has 0 hydrogen bond donor(s) and 2 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 异丙基丁二腈?
The CAS number of 异丙基丁二腈 is 1115-37-3.
What is the molecular formula of 异丙基丁二腈?
The molecular formula of 异丙基丁二腈 is CC(C)C(CC#N)C#N.
What is the molecular weight of 异丙基丁二腈?
The molecular weight of 异丙基丁二腈 is 122.08 g/mol.
Where can I buy 异丙基丁二腈?
You can request a quote for 异丙基丁二腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 异丙基丁二腈?
Yes, KEHONG BIO provides custom synthesis services for 异丙基丁二腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.