![Methyl 2-chloro-5-[4-(2,2-dicyanoethenyl)furan-3-yl]benzoate structure](/static/products/328/328971-10-4.png)
Methyl 2-chloro-5-[4-(2,2-dicyanoethenyl)furan-3-yl]benzoate
TL;DR: Methyl 2-chloro-5-[4-(2,2-dicyanoethenyl)furan-3-yl]benzoate (CAS 328971-10-4) is a chemical compound with molecular formula C16H9ClN2O3 and molecular weight 312.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-chloro-5-[4-(2,2-dicyanoethenyl)furan-3-yl]benzoate
Also Known As: BAS 01278235, methyl 2-chloro-5-[4-(2,2-dicyanoethenyl)furan-3-yl]benzoate, methyl 5-[4-(2,2-dicyanovinyl)(3-furyl)]-2-chlorobenzoate, 2-Chloro-5-[4-(2,2-dicyano-vinyl)-furan-3-yl]-benzoic acid methyl ester, METHYL 2-CHLORO-5-[4-(2,2-DICYANOETH-1-EN-1-YL)FURAN-3-YL]BENZOATE
| Molecular Formula | C16H9ClN2O3 |
|---|---|
| Molecular Weight | 312.03 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 87.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 312.03018 |
| Heavy Atoms | 22 |
| Complexity | 538.0 |
Chemical Identifiers
| CAS Number | 328971-10-4 |
|---|---|
| SMILES | COC(=O)C1=C(C=CC(=C1)C2=COC=C2C=C(C#N)C#N)Cl |
| InChIKey | NGNZDXUWKVKIMB-UHFFFAOYSA-N |
Product Overview
Methyl 2-chloro-5-[4-(2,2-dicyanoethenyl)furan-3-yl]benzoate (CAS 328971-10-4), with molecular formula C16H9ClN2O3 and molecular weight 312.03 g/mol. IUPAC: methyl 2-chloro-5-[4-(2,2-dicyanoethenyl)furan-3-yl]benzoate.
Chemical Property Profile of Methyl 2-chloro-5-[4-(2,2-dicyanoethenyl)furan-3-yl]benzoate
Property Insights of Methyl 2-chloro-5-[4-(2,2-dicyanoethenyl)furan-3-yl]benzoate
The XLogP value of 3.2 indicates that Methyl 2-chloro-5-[4-(2,2-dicyanoethenyl)furan-3-yl]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-chloro-5-[4-(2,2-dicyanoethenyl)furan-3-yl]benzoate. Following Lipinski's Rule of Five, Methyl 2-chloro-5-[4-(2,2-dicyanoethenyl)furan-3-yl]benzoate 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 Methyl 2-chloro-5-[4-(2,2-dicyanoethenyl)furan-3-yl]benzoate?
The CAS number of Methyl 2-chloro-5-[4-(2,2-dicyanoethenyl)furan-3-yl]benzoate is 328971-10-4.
What is the molecular formula of Methyl 2-chloro-5-[4-(2,2-dicyanoethenyl)furan-3-yl]benzoate?
The molecular formula of Methyl 2-chloro-5-[4-(2,2-dicyanoethenyl)furan-3-yl]benzoate is C16H9ClN2O3.
What is the molecular weight of Methyl 2-chloro-5-[4-(2,2-dicyanoethenyl)furan-3-yl]benzoate?
The molecular weight of Methyl 2-chloro-5-[4-(2,2-dicyanoethenyl)furan-3-yl]benzoate is 312.03 g/mol.
Where can I buy Methyl 2-chloro-5-[4-(2,2-dicyanoethenyl)furan-3-yl]benzoate?
You can request a quote for Methyl 2-chloro-5-[4-(2,2-dicyanoethenyl)furan-3-yl]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-chloro-5-[4-(2,2-dicyanoethenyl)furan-3-yl]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-chloro-5-[4-(2,2-dicyanoethenyl)furan-3-yl]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.