4,4-二氰基庚二酸二烯丙酯
TL;DR: 4,4-二氰基庚二酸二烯丙酯 (CAS 7504-74-7) is a chemical compound with molecular formula C15H18N2O4 and molecular weight 290.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4-二氰基庚二酸二烯丙酯
bis(prop-2-enyl) 4,4-dicyanoheptanedioate
Also Known As: Diallyl 4,4-dicyanoheptanedioate, bis(prop-2-enyl) 4,4-dicyanoheptanedioate, HEPTANEDIOIC ACID, 4,4-DICYANO-, DIALLYL ESTER, Heptanedioic acid, 4,4-dicyano-, di-2-propenyl ester, Heptanedioic acid,4-dicyano-, diallyl ester
| Molecular Formula | C15H18N2O4 |
|---|---|
| Molecular Weight | 290.13 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 100.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 12 |
| Exact Mass | 290.12665 |
| Heavy Atoms | 21 |
| Complexity | 446.0 |
Chemical Identifiers
| CAS Number | 7504-74-7 |
|---|---|
| SMILES | C=CCOC(=O)CCC(CCC(=O)OCC=C)(C#N)C#N |
| InChIKey | GNIQOVYCZKBHMI-UHFFFAOYSA-N |
Product Overview
4,4-二氰基庚二酸二烯丙酯 (CAS 7504-74-7), with molecular formula C15H18N2O4 and molecular weight 290.13 g/mol. IUPAC: bis(prop-2-enyl) 4,4-dicyanoheptanedioate.
Chemical Property Profile of 4,4-二氰基庚二酸二烯丙酯
Property Insights of 4,4-二氰基庚二酸二烯丙酯
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,4-二氰基庚二酸二烯丙酯. The TPSA of 100.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,4-二氰基庚二酸二烯丙酯. Following Lipinski's Rule of Five, 4,4-二氰基庚二酸二烯丙酯 has 0 hydrogen bond donor(s) and 6 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 4,4-二氰基庚二酸二烯丙酯?
The CAS number of 4,4-二氰基庚二酸二烯丙酯 is 7504-74-7.
What is the molecular formula of 4,4-二氰基庚二酸二烯丙酯?
The molecular formula of 4,4-二氰基庚二酸二烯丙酯 is C15H18N2O4.
What is the molecular weight of 4,4-二氰基庚二酸二烯丙酯?
The molecular weight of 4,4-二氰基庚二酸二烯丙酯 is 290.13 g/mol.
Where can I buy 4,4-二氰基庚二酸二烯丙酯?
You can request a quote for 4,4-二氰基庚二酸二烯丙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4-二氰基庚二酸二烯丙酯?
Yes, KEHONG BIO provides custom synthesis services for 4,4-二氰基庚二酸二烯丙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.