Dimethyl 4-cyano-4-(4-fluorophenyl)heptanedioate
TL;DR: Dimethyl 4-cyano-4-(4-fluorophenyl)heptanedioate (CAS 56326-92-2) is a chemical compound with molecular formula C16H18FNO4 and molecular weight 307.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 4-cyano-4-(4-fluorophenyl)heptanedioate
Also Known As: dimethyl 4-cyano-4-(4-fluorophenyl)heptanedioate, 2-methyl-cyclohexanone thiosemicarbazone, dimethyl-4-cyano-4-(4-fluorophenyl)pimelate, Heptanedioic acid, 4-cyano-4-(4-fluorophenyl)-, dimethyl ester, 1,7-dimethyl 4-cyano-4-(4-fluorophenyl)heptanedioate
| Molecular Formula | C16H18FNO4 |
|---|---|
| Molecular Weight | 307.12 g/mol |
| LogP | 2.49348 |
| Topological Polar Surface Area | 76.39 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 307.12198 |
| Heavy Atoms | 22 |
| Complexity | 542.50366 |
Chemical Identifiers
| CAS Number | 56326-92-2 |
|---|---|
| SMILES | COC(=O)CCC(CCC(=O)OC)(C#N)C1=CC=C(C=C1)F |
Product Overview
Dimethyl 4-cyano-4-(4-fluorophenyl)heptanedioate (CAS 56326-92-2), with molecular formula C16H18FNO4 and molecular weight 307.12 g/mol. IUPAC: dimethyl 4-cyano-4-(4-fluorophenyl)heptanedioate.
Chemical Property Profile of Dimethyl 4-cyano-4-(4-fluorophenyl)heptanedioate
Property Insights of Dimethyl 4-cyano-4-(4-fluorophenyl)heptanedioate
The XLogP value of 2.49348 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 4-cyano-4-(4-fluorophenyl)heptanedioate. The TPSA of 76.39 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 4-cyano-4-(4-fluorophenyl)heptanedioate. Following Lipinski's Rule of Five, Dimethyl 4-cyano-4-(4-fluorophenyl)heptanedioate has 0 hydrogen bond donor(s) and 5 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 Dimethyl 4-cyano-4-(4-fluorophenyl)heptanedioate?
The CAS number of Dimethyl 4-cyano-4-(4-fluorophenyl)heptanedioate is 56326-92-2.
What is the molecular formula of Dimethyl 4-cyano-4-(4-fluorophenyl)heptanedioate?
The molecular formula of Dimethyl 4-cyano-4-(4-fluorophenyl)heptanedioate is C16H18FNO4.
What is the molecular weight of Dimethyl 4-cyano-4-(4-fluorophenyl)heptanedioate?
The molecular weight of Dimethyl 4-cyano-4-(4-fluorophenyl)heptanedioate is 307.12 g/mol.
Where can I buy Dimethyl 4-cyano-4-(4-fluorophenyl)heptanedioate?
You can request a quote for Dimethyl 4-cyano-4-(4-fluorophenyl)heptanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 4-cyano-4-(4-fluorophenyl)heptanedioate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 4-cyano-4-(4-fluorophenyl)heptanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.