methyl (2E)-3-(2-chloro-5-nitrophenyl)-2-cyanoprop-2-enoate
TL;DR: methyl (2E)-3-(2-chloro-5-nitrophenyl)-2-cyanoprop-2-enoate (CAS 307339-58-8) is a chemical compound with molecular formula C11H7ClN2O4 and molecular weight 266.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (E)-3-(2-chloro-5-nitrophenyl)-2-cyanoprop-2-enoate
Also Known As: J1.897.859H, methyl (2E)-3-(2-chloro-5-nitrophenyl)-2-cyanoprop-2-enoate, methyl 3-(2-chloro-5-nitrophenyl)-2-cyanoacrylate, methyl (E)-3-(2-chloro-5-nitrophenyl)-2-cyanoprop-2-enoate, (E)-2-Cyano-3-(2-chloro-5-nitrophenyl)propenoic acid methyl ester
| Molecular Formula | C11H7ClN2O4 |
|---|---|
| Molecular Weight | 266.01 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 95.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 266.00943 |
| Heavy Atoms | 18 |
| Complexity | 420.0 |
Chemical Identifiers
| CAS Number | 307339-58-8 |
|---|---|
| SMILES | COC(=O)/C(=C/C1=C(C=CC(=C1)[N+](=O)[O-])Cl)/C#N |
| InChIKey | YWRHZLMIBIYRHS-XBXARRHUSA-N |
Product Overview
methyl (2E)-3-(2-chloro-5-nitrophenyl)-2-cyanoprop-2-enoate (CAS 307339-58-8), with molecular formula C11H7ClN2O4 and molecular weight 266.01 g/mol. IUPAC: methyl (E)-3-(2-chloro-5-nitrophenyl)-2-cyanoprop-2-enoate.
Chemical Property Profile of methyl (2E)-3-(2-chloro-5-nitrophenyl)-2-cyanoprop-2-enoate
Property Insights of methyl (2E)-3-(2-chloro-5-nitrophenyl)-2-cyanoprop-2-enoate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl (2E)-3-(2-chloro-5-nitrophenyl)-2-cyanoprop-2-enoate. The TPSA of 95.9 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl (2E)-3-(2-chloro-5-nitrophenyl)-2-cyanoprop-2-enoate. Following Lipinski's Rule of Five, methyl (2E)-3-(2-chloro-5-nitrophenyl)-2-cyanoprop-2-enoate 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 (2E)-3-(2-chloro-5-nitrophenyl)-2-cyanoprop-2-enoate?
The CAS number of methyl (2E)-3-(2-chloro-5-nitrophenyl)-2-cyanoprop-2-enoate is 307339-58-8.
What is the molecular formula of methyl (2E)-3-(2-chloro-5-nitrophenyl)-2-cyanoprop-2-enoate?
The molecular formula of methyl (2E)-3-(2-chloro-5-nitrophenyl)-2-cyanoprop-2-enoate is C11H7ClN2O4.
What is the molecular weight of methyl (2E)-3-(2-chloro-5-nitrophenyl)-2-cyanoprop-2-enoate?
The molecular weight of methyl (2E)-3-(2-chloro-5-nitrophenyl)-2-cyanoprop-2-enoate is 266.01 g/mol.
Where can I buy methyl (2E)-3-(2-chloro-5-nitrophenyl)-2-cyanoprop-2-enoate?
You can request a quote for methyl (2E)-3-(2-chloro-5-nitrophenyl)-2-cyanoprop-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl (2E)-3-(2-chloro-5-nitrophenyl)-2-cyanoprop-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for methyl (2E)-3-(2-chloro-5-nitrophenyl)-2-cyanoprop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.