dimethyl (E)-2-(3-methylphenoxy)but-2-enedioate
TL;DR: dimethyl (E)-2-(3-methylphenoxy)but-2-enedioate (CAS 2447-88-3) is a chemical compound with molecular formula C13H14O5 and molecular weight 250.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl (E)-2-(3-methylphenoxy)but-2-enedioate
Also Known As: 2-Fluor-5-stearamido-nitrobenzol, dimethyl 2-(3-methylphenoxy)but-2-enedioate, dimethyl (E)-2-(3-methylphenoxy)but-2-enedioate
| Molecular Formula | C13H14O5 |
|---|---|
| Molecular Weight | 250.08 g/mol |
| LogP | 1.60372 |
| Topological Polar Surface Area | 61.83 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 250.08412 |
| Heavy Atoms | 18 |
| Complexity | 476.02487 |
Chemical Identifiers
| CAS Number | 2447-88-3 |
|---|---|
| SMILES | CC1=CC(=CC=C1)O/C(=C/C(=O)OC)/C(=O)OC |
Product Overview
dimethyl (E)-2-(3-methylphenoxy)but-2-enedioate (CAS 2447-88-3), with molecular formula C13H14O5 and molecular weight 250.08 g/mol. IUPAC: dimethyl (E)-2-(3-methylphenoxy)but-2-enedioate.
Chemical Property Profile of dimethyl (E)-2-(3-methylphenoxy)but-2-enedioate
Property Insights of dimethyl (E)-2-(3-methylphenoxy)but-2-enedioate
The XLogP value of 1.60372 suggests moderate lipophilicity, balancing water solubility and membrane permeability for dimethyl (E)-2-(3-methylphenoxy)but-2-enedioate. The TPSA of 61.83 Ų falls within the moderate polarity range, balancing permeability and solubility for dimethyl (E)-2-(3-methylphenoxy)but-2-enedioate. Following Lipinski's Rule of Five, dimethyl (E)-2-(3-methylphenoxy)but-2-enedioate 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 dimethyl (E)-2-(3-methylphenoxy)but-2-enedioate?
The CAS number of dimethyl (E)-2-(3-methylphenoxy)but-2-enedioate is 2447-88-3.
What is the molecular formula of dimethyl (E)-2-(3-methylphenoxy)but-2-enedioate?
The molecular formula of dimethyl (E)-2-(3-methylphenoxy)but-2-enedioate is C13H14O5.
What is the molecular weight of dimethyl (E)-2-(3-methylphenoxy)but-2-enedioate?
The molecular weight of dimethyl (E)-2-(3-methylphenoxy)but-2-enedioate is 250.08 g/mol.
Where can I buy dimethyl (E)-2-(3-methylphenoxy)but-2-enedioate?
You can request a quote for dimethyl (E)-2-(3-methylphenoxy)but-2-enedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for dimethyl (E)-2-(3-methylphenoxy)but-2-enedioate?
Yes, KEHONG BIO provides custom synthesis services for dimethyl (E)-2-(3-methylphenoxy)but-2-enedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.