Methyl 2-(2,4-dinitroanilino)-3-phenylprop-2-enoate
TL;DR: Methyl 2-(2,4-dinitroanilino)-3-phenylprop-2-enoate (CAS 16784-56-8) is a chemical compound with molecular formula C16H13N3O6 and molecular weight 343.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(2,4-dinitroanilino)-3-phenylprop-2-enoate
Also Known As: methyl 2-(2,4-dinitroanilino)-3-phenylprop-2-enoate, 2-Propenoic acid,2-[(2,4-dinitrophenyl)amino]-3-phenyl-, methyl ester
| Molecular Formula | C16H13N3O6 |
|---|---|
| Molecular Weight | 343.08 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 130.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 343.08044 |
| Heavy Atoms | 25 |
| Complexity | 533.0 |
Chemical Identifiers
| CAS Number | 16784-56-8 |
|---|---|
| SMILES | COC(=O)C(=CC1=CC=CC=C1)NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | IPEHAWJSDTZCTN-UHFFFAOYSA-N |
Product Overview
Methyl 2-(2,4-dinitroanilino)-3-phenylprop-2-enoate (CAS 16784-56-8), with molecular formula C16H13N3O6 and molecular weight 343.08 g/mol. IUPAC: methyl 2-(2,4-dinitroanilino)-3-phenylprop-2-enoate.
Chemical Property Profile of Methyl 2-(2,4-dinitroanilino)-3-phenylprop-2-enoate
Property Insights of Methyl 2-(2,4-dinitroanilino)-3-phenylprop-2-enoate
The XLogP value of 4.2 indicates that Methyl 2-(2,4-dinitroanilino)-3-phenylprop-2-enoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 130.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-(2,4-dinitroanilino)-3-phenylprop-2-enoate. Following Lipinski's Rule of Five, Methyl 2-(2,4-dinitroanilino)-3-phenylprop-2-enoate has 1 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 Methyl 2-(2,4-dinitroanilino)-3-phenylprop-2-enoate?
The CAS number of Methyl 2-(2,4-dinitroanilino)-3-phenylprop-2-enoate is 16784-56-8.
What is the molecular formula of Methyl 2-(2,4-dinitroanilino)-3-phenylprop-2-enoate?
The molecular formula of Methyl 2-(2,4-dinitroanilino)-3-phenylprop-2-enoate is C16H13N3O6.
What is the molecular weight of Methyl 2-(2,4-dinitroanilino)-3-phenylprop-2-enoate?
The molecular weight of Methyl 2-(2,4-dinitroanilino)-3-phenylprop-2-enoate is 343.08 g/mol.
Where can I buy Methyl 2-(2,4-dinitroanilino)-3-phenylprop-2-enoate?
You can request a quote for Methyl 2-(2,4-dinitroanilino)-3-phenylprop-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 2-(2,4-dinitroanilino)-3-phenylprop-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-(2,4-dinitroanilino)-3-phenylprop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.