Dimethyl 4-cyano-4-phenylheptanedioate
TL;DR: Dimethyl 4-cyano-4-phenylheptanedioate (CAS 38560-24-6) is a chemical compound with molecular formula C16H19NO4 and molecular weight 289.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 4-cyano-4-phenylheptanedioate
Also Known As: dimethyl 4-cyano-4-phenylheptanedioate, dimethyl4-cyano-4-phenylheptanedioate, dimethyl 4-cyano-4-phenyl-heptanedioate, 4-cyano-4-phenylheptanedioic acid dimethyl ester, Heptanedioicacid, 4-cyano-4-phenyl-, 1,7-dimethyl ester
| Molecular Formula | C16H19NO4 |
|---|---|
| Molecular Weight | 289.13 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 76.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 289.1314 |
| Heavy Atoms | 21 |
| Complexity | 384.0 |
Chemical Identifiers
| CAS Number | 38560-24-6 |
|---|---|
| SMILES | COC(=O)CCC(CCC(=O)OC)(C#N)C1=CC=CC=C1 |
| InChIKey | HCUUFVRSNZOLLK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dimethyl 4-cyano-4-phenylheptanedioate (CAS 38560-24-6), with molecular formula C16H19NO4 and molecular weight 289.13 g/mol. IUPAC: dimethyl 4-cyano-4-phenylheptanedioate.
Chemical Property Profile of Dimethyl 4-cyano-4-phenylheptanedioate
Property Insights of Dimethyl 4-cyano-4-phenylheptanedioate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 4-cyano-4-phenylheptanedioate. The TPSA of 76.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 4-cyano-4-phenylheptanedioate. Following Lipinski's Rule of Five, Dimethyl 4-cyano-4-phenylheptanedioate 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-phenylheptanedioate?
The CAS number of Dimethyl 4-cyano-4-phenylheptanedioate is 38560-24-6.
What is the molecular formula of Dimethyl 4-cyano-4-phenylheptanedioate?
The molecular formula of Dimethyl 4-cyano-4-phenylheptanedioate is C16H19NO4.
What is the molecular weight of Dimethyl 4-cyano-4-phenylheptanedioate?
The molecular weight of Dimethyl 4-cyano-4-phenylheptanedioate is 289.13 g/mol.
Where can I buy Dimethyl 4-cyano-4-phenylheptanedioate?
You can request a quote for Dimethyl 4-cyano-4-phenylheptanedioate 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-phenylheptanedioate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 4-cyano-4-phenylheptanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.