4,4-二乙酰基庚二腈
TL;DR: 4,4-二乙酰基庚二腈 (CAS 5324-43-6) is a chemical compound with molecular formula C11H14N2O2 and molecular weight 206.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4-二乙酰基庚二腈
4,4-diacetylheptanedinitrile
Also Known As: 4,4-Diacetylheptanedinitrile, alpha,alpha-Diacetylpimelonitrile, 4,4-diacetyl-heptanedinitrile, HEPTANEDINITRILE, 4,4-DIACETYL-, Heptanedinitrile,4-diacetyl
| Molecular Formula | C11H14N2O2 |
|---|---|
| Molecular Weight | 206.11 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 81.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 206.10553 |
| Heavy Atoms | 15 |
| Complexity | 317.0 |
Chemical Identifiers
| CAS Number | 5324-43-6 |
|---|---|
| SMILES | CC(=O)C(CCC#N)(CCC#N)C(=O)C |
| InChIKey | QDIYYSFUYAGTHN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,4-二乙酰基庚二腈 (CAS 5324-43-6), with molecular formula C11H14N2O2 and molecular weight 206.11 g/mol. IUPAC: 4,4-diacetylheptanedinitrile.
Chemical Property Profile of 4,4-二乙酰基庚二腈
Property Insights of 4,4-二乙酰基庚二腈
The XLogP value of -0.2 indicates that 4,4-二乙酰基庚二腈 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 81.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,4-二乙酰基庚二腈. Following Lipinski's Rule of Five, 4,4-二乙酰基庚二腈 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 4,4-二乙酰基庚二腈?
The CAS number of 4,4-二乙酰基庚二腈 is 5324-43-6.
What is the molecular formula of 4,4-二乙酰基庚二腈?
The molecular formula of 4,4-二乙酰基庚二腈 is C11H14N2O2.
What is the molecular weight of 4,4-二乙酰基庚二腈?
The molecular weight of 4,4-二乙酰基庚二腈 is 206.11 g/mol.
Where can I buy 4,4-二乙酰基庚二腈?
You can request a quote for 4,4-二乙酰基庚二腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4-二乙酰基庚二腈?
Yes, KEHONG BIO provides custom synthesis services for 4,4-二乙酰基庚二腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.