Dimethyl 4-cyano-4-(3,4-dimethoxyphenyl)heptanedioate
TL;DR: Dimethyl 4-cyano-4-(3,4-dimethoxyphenyl)heptanedioate (CAS 61330-09-4) is a chemical compound with molecular formula C18H23NO6 and molecular weight 349.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 4-cyano-4-(3,4-dimethoxyphenyl)heptanedioate
Also Known As: Pyrido<3,2-e>as-triazin, dimethyl 4-cyano-4-(3,4-dimethoxyphenyl)heptanedioate, BAS 00335334, dimethyl 4-(3,4-dimethoxyphenyl)-4-cyanopimelate, J2.058.359B
| Molecular Formula | C18H23NO6 |
|---|---|
| Molecular Weight | 349.15 g/mol |
| LogP | 2.37158 |
| Topological Polar Surface Area | 94.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 349.15253 |
| Heavy Atoms | 25 |
| Complexity | 629.45667 |
Chemical Identifiers
| CAS Number | 61330-09-4 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(CCC(=O)OC)(CCC(=O)OC)C#N)OC |
Product Overview
Dimethyl 4-cyano-4-(3,4-dimethoxyphenyl)heptanedioate (CAS 61330-09-4), with molecular formula C18H23NO6 and molecular weight 349.15 g/mol. IUPAC: dimethyl 4-cyano-4-(3,4-dimethoxyphenyl)heptanedioate.
Chemical Property Profile of Dimethyl 4-cyano-4-(3,4-dimethoxyphenyl)heptanedioate
Property Insights of Dimethyl 4-cyano-4-(3,4-dimethoxyphenyl)heptanedioate
The XLogP value of 2.37158 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 4-cyano-4-(3,4-dimethoxyphenyl)heptanedioate. The TPSA of 94.85 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 4-cyano-4-(3,4-dimethoxyphenyl)heptanedioate. Following Lipinski's Rule of Five, Dimethyl 4-cyano-4-(3,4-dimethoxyphenyl)heptanedioate has 0 hydrogen bond donor(s) and 7 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-(3,4-dimethoxyphenyl)heptanedioate?
The CAS number of Dimethyl 4-cyano-4-(3,4-dimethoxyphenyl)heptanedioate is 61330-09-4.
What is the molecular formula of Dimethyl 4-cyano-4-(3,4-dimethoxyphenyl)heptanedioate?
The molecular formula of Dimethyl 4-cyano-4-(3,4-dimethoxyphenyl)heptanedioate is C18H23NO6.
What is the molecular weight of Dimethyl 4-cyano-4-(3,4-dimethoxyphenyl)heptanedioate?
The molecular weight of Dimethyl 4-cyano-4-(3,4-dimethoxyphenyl)heptanedioate is 349.15 g/mol.
Where can I buy Dimethyl 4-cyano-4-(3,4-dimethoxyphenyl)heptanedioate?
You can request a quote for Dimethyl 4-cyano-4-(3,4-dimethoxyphenyl)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-(3,4-dimethoxyphenyl)heptanedioate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 4-cyano-4-(3,4-dimethoxyphenyl)heptanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.