2-Propenoic acid, 2-cyano-3-[4-methoxy-3-(phenylmethoxy)phenyl]- structure

2-Propenoic acid, 2-cyano-3-[4-methoxy-3-(phenylmethoxy)phenyl]-

TL;DR: 2-Propenoic acid, 2-cyano-3-[4-methoxy-3-(phenylmethoxy)phenyl]- (CAS 65004-72-0) is a chemical compound with molecular formula C18H15NO4 and molecular weight 309.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.

2-cyano-3-(4-methoxy-3-phenylmethoxyphenyl)prop-2-enoic acid

Also Known As: 2-Propenoic acid, 2-cyano-3-[4-methoxy-3-(phenylmethoxy)phenyl]-, 2-cyano-3-(4-methoxy-3-phenylmethoxyphenyl)prop-2-enoic acid, 2-cyano-3-(4-methoxy-3-phenylmethoxy-phenyl)prop-2-enoic Acid, 2-Propenoic acid,2-cyano-3-[4-methoxy-3-(phenylmethoxy)phenyl], 3-[3-(BENZYLOXY)-4-METHOXYPHENYL]-2-CYANOPROP-2-ENOIC ACID

CAS: 65004-72-0
Molecular Formula C18H15NO4
Molecular Weight 309.10 g/mol
LogP 3.26578
Topological Polar Surface Area 79.55 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 4
Rotatable Bonds 6
Exact Mass 309.1001
Heavy Atoms 23
Complexity 760.3362

Chemical Identifiers

CAS Number 65004-72-0
SMILES COC1=C(C=C(C=C1)C=C(C#N)C(=O)O)OCC2=CC=CC=C2

Product Overview

2-Propenoic acid, 2-cyano-3-[4-methoxy-3-(phenylmethoxy)phenyl]- (CAS 65004-72-0), with molecular formula C18H15NO4 and molecular weight 309.10 g/mol. IUPAC: 2-cyano-3-(4-methoxy-3-phenylmethoxyphenyl)prop-2-enoic acid.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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Chemical Property Profile of 2-Propenoic acid, 2-cyano-3-[4-methoxy-3-(phenylmethoxy)phenyl]-

XLogP
3.26578
TPSA (Topological Polar Surface Area)
79.55
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
4
Rotatable Bonds
6
Heavy Atoms
23
Complexity
760.3362
Exact Mass
309.1001
Monoisotopic Mass
309.1001
Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

Property Insights of 2-Propenoic acid, 2-cyano-3-[4-methoxy-3-(phenylmethoxy)phenyl]-

The XLogP value of 3.26578 indicates that 2-Propenoic acid, 2-cyano-3-[4-methoxy-3-(phenylmethoxy)phenyl]- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.55 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Propenoic acid, 2-cyano-3-[4-methoxy-3-(phenylmethoxy)phenyl]-. Following Lipinski's Rule of Five, 2-Propenoic acid, 2-cyano-3-[4-methoxy-3-(phenylmethoxy)phenyl]- has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.

Frequently Asked Questions

What is the typical lead time for this product?
Lead time typically ranges from 3-7 business days for in-stock items. For larger quantities or custom orders, please contact us for specific lead times.
Can you provide samples for testing?
Yes, we offer sample quantities for quality testing. Please submit an inquiry with your requirements and we will arrange samples accordingly.
What documentation do you provide with the product?
We provide COA (Certificate of Analysis), MSDS (Material Safety Data Sheet), and technical data sheets with each shipment.
Do you ship internationally?
Yes, we ship to most countries worldwide. Shipping costs and delivery times vary by location. Please contact us for specific shipping information.

Frequently Asked Questions

What is the CAS number of 2-Propenoic acid, 2-cyano-3-[4-methoxy-3-(phenylmethoxy)phenyl]-?

The CAS number of 2-Propenoic acid, 2-cyano-3-[4-methoxy-3-(phenylmethoxy)phenyl]- is 65004-72-0.

What is the molecular formula of 2-Propenoic acid, 2-cyano-3-[4-methoxy-3-(phenylmethoxy)phenyl]-?

The molecular formula of 2-Propenoic acid, 2-cyano-3-[4-methoxy-3-(phenylmethoxy)phenyl]- is C18H15NO4.

What is the molecular weight of 2-Propenoic acid, 2-cyano-3-[4-methoxy-3-(phenylmethoxy)phenyl]-?

The molecular weight of 2-Propenoic acid, 2-cyano-3-[4-methoxy-3-(phenylmethoxy)phenyl]- is 309.10 g/mol.

Where can I buy 2-Propenoic acid, 2-cyano-3-[4-methoxy-3-(phenylmethoxy)phenyl]-?

You can request a quote for 2-Propenoic acid, 2-cyano-3-[4-methoxy-3-(phenylmethoxy)phenyl]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.

Does KEHONG BIO offer custom synthesis for 2-Propenoic acid, 2-cyano-3-[4-methoxy-3-(phenylmethoxy)phenyl]-?

Yes, KEHONG BIO provides custom synthesis services for 2-Propenoic acid, 2-cyano-3-[4-methoxy-3-(phenylmethoxy)phenyl]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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