(E)-methyl 2-(3-(4-(benzoyloxy)phenyl)-2-cyanoacrylamido)benzoate
TL;DR: (E)-methyl 2-(3-(4-(benzoyloxy)phenyl)-2-cyanoacrylamido)benzoate (CAS 469873-06-1) is a chemical compound with molecular formula C25H18N2O5 and molecular weight 426.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[(E)-3-(4-benzoyloxyphenyl)-2-cyanoprop-2-enoyl]amino]benzoate
Also Known As: (E)-methyl 2-(3-(4-(benzoyloxy)phenyl)-2-cyanoacrylamido)benzoate, F0889-0293, METHYL 2-[(2E)-3-[4-(BENZOYLOXY)PHENYL]-2-CYANOPROP-2-ENAMIDO]BENZOATE, methyl 2-[[(E)-3-(4-benzoyloxyphenyl)-2-cyanoprop-2-enoyl]amino]benzoate, 4-((1E)-2-cyano-2-{N-[2-(methoxycarbonyl)phenyl]carbamoyl}vinyl)phenyl benzoat e
| Molecular Formula | C25H18N2O5 |
|---|---|
| Molecular Weight | 426.12 g/mol |
| LogP | 4.23808 |
| Topological Polar Surface Area | 105.49 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 426.12158 |
| Heavy Atoms | 32 |
| Complexity | 1209.0846 |
Chemical Identifiers
| CAS Number | 469873-06-1 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1NC(=O)/C(=C/C2=CC=C(C=C2)OC(=O)C3=CC=CC=C3)/C#N |
Product Overview
(E)-methyl 2-(3-(4-(benzoyloxy)phenyl)-2-cyanoacrylamido)benzoate (CAS 469873-06-1), with molecular formula C25H18N2O5 and molecular weight 426.12 g/mol. IUPAC: methyl 2-[[(E)-3-(4-benzoyloxyphenyl)-2-cyanoprop-2-enoyl]amino]benzoate.
Chemical Property Profile of (E)-methyl 2-(3-(4-(benzoyloxy)phenyl)-2-cyanoacrylamido)benzoate
Property Insights of (E)-methyl 2-(3-(4-(benzoyloxy)phenyl)-2-cyanoacrylamido)benzoate
The XLogP value of 4.23808 indicates that (E)-methyl 2-(3-(4-(benzoyloxy)phenyl)-2-cyanoacrylamido)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.49 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-methyl 2-(3-(4-(benzoyloxy)phenyl)-2-cyanoacrylamido)benzoate. Following Lipinski's Rule of Five, (E)-methyl 2-(3-(4-(benzoyloxy)phenyl)-2-cyanoacrylamido)benzoate has 1 hydrogen bond donor(s) and 6 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 (E)-methyl 2-(3-(4-(benzoyloxy)phenyl)-2-cyanoacrylamido)benzoate?
The CAS number of (E)-methyl 2-(3-(4-(benzoyloxy)phenyl)-2-cyanoacrylamido)benzoate is 469873-06-1.
What is the molecular formula of (E)-methyl 2-(3-(4-(benzoyloxy)phenyl)-2-cyanoacrylamido)benzoate?
The molecular formula of (E)-methyl 2-(3-(4-(benzoyloxy)phenyl)-2-cyanoacrylamido)benzoate is C25H18N2O5.
What is the molecular weight of (E)-methyl 2-(3-(4-(benzoyloxy)phenyl)-2-cyanoacrylamido)benzoate?
The molecular weight of (E)-methyl 2-(3-(4-(benzoyloxy)phenyl)-2-cyanoacrylamido)benzoate is 426.12 g/mol.
Where can I buy (E)-methyl 2-(3-(4-(benzoyloxy)phenyl)-2-cyanoacrylamido)benzoate?
You can request a quote for (E)-methyl 2-(3-(4-(benzoyloxy)phenyl)-2-cyanoacrylamido)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-methyl 2-(3-(4-(benzoyloxy)phenyl)-2-cyanoacrylamido)benzoate?
Yes, KEHONG BIO provides custom synthesis services for (E)-methyl 2-(3-(4-(benzoyloxy)phenyl)-2-cyanoacrylamido)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.