methyl (Z)-3-(4-chlorophenyl)-2-nitroprop-2-enoate
TL;DR: methyl (Z)-3-(4-chlorophenyl)-2-nitroprop-2-enoate (CAS 420100-57-8) is a chemical compound with molecular formula C10H8ClNO4 and molecular weight 241.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (Z)-3-(4-chlorophenyl)-2-nitroprop-2-enoate
Also Known As: methyl (Z)-3-(4-chlorophenyl)-2-nitroprop-2-enoate, alpha-nitro-beta-(4-chlorophenyl)acrylic acid methyl ester
| Molecular Formula | C10H8ClNO4 |
|---|---|
| Molecular Weight | 241.01 g/mol |
| LogP | 2.1306 |
| Topological Polar Surface Area | 69.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 241.01419 |
| Heavy Atoms | 16 |
| Complexity | 438.63718 |
Chemical Identifiers
| CAS Number | 420100-57-8 |
|---|---|
| SMILES | COC(=O)/C(=C/C1=CC=C(C=C1)Cl)/[N+](=O)[O-] |
Product Overview
methyl (Z)-3-(4-chlorophenyl)-2-nitroprop-2-enoate (CAS 420100-57-8), with molecular formula C10H8ClNO4 and molecular weight 241.01 g/mol. IUPAC: methyl (Z)-3-(4-chlorophenyl)-2-nitroprop-2-enoate.
Chemical Property Profile of methyl (Z)-3-(4-chlorophenyl)-2-nitroprop-2-enoate
Property Insights of methyl (Z)-3-(4-chlorophenyl)-2-nitroprop-2-enoate
The XLogP value of 2.1306 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl (Z)-3-(4-chlorophenyl)-2-nitroprop-2-enoate. The TPSA of 69.44 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl (Z)-3-(4-chlorophenyl)-2-nitroprop-2-enoate. Following Lipinski's Rule of Five, methyl (Z)-3-(4-chlorophenyl)-2-nitroprop-2-enoate has 0 hydrogen bond donor(s) and 4 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 (Z)-3-(4-chlorophenyl)-2-nitroprop-2-enoate?
The CAS number of methyl (Z)-3-(4-chlorophenyl)-2-nitroprop-2-enoate is 420100-57-8.
What is the molecular formula of methyl (Z)-3-(4-chlorophenyl)-2-nitroprop-2-enoate?
The molecular formula of methyl (Z)-3-(4-chlorophenyl)-2-nitroprop-2-enoate is C10H8ClNO4.
What is the molecular weight of methyl (Z)-3-(4-chlorophenyl)-2-nitroprop-2-enoate?
The molecular weight of methyl (Z)-3-(4-chlorophenyl)-2-nitroprop-2-enoate is 241.01 g/mol.
Where can I buy methyl (Z)-3-(4-chlorophenyl)-2-nitroprop-2-enoate?
You can request a quote for methyl (Z)-3-(4-chlorophenyl)-2-nitroprop-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 (Z)-3-(4-chlorophenyl)-2-nitroprop-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for methyl (Z)-3-(4-chlorophenyl)-2-nitroprop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.