3-Anilino-2-(3,4,5,-trimethoxybenzyl)acrylonitrile, (Z)-
TL;DR: 3-Anilino-2-(3,4,5,-trimethoxybenzyl)acrylonitrile, (Z)- (CAS 749262-82-6) is a chemical compound with molecular formula C19H20N2O3 and molecular weight 324.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-3-anilino-2-[(3,4,5-trimethoxyphenyl)methyl]prop-2-enenitrile
Also Known As: Trimethoprim Impurity I, Trimethoprim EP Impurity I, KRP-203 Monophosphate, 3-(Phenylamino)-2-(3,4,5-trimethoxybenzyl)acrylonitrile, EINECS 250-033-1
| Molecular Formula | C19H20N2O3 |
|---|---|
| Molecular Weight | 324.15 g/mol |
| LogP | 3.77448 |
| Topological Polar Surface Area | 63.51 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 324.1474 |
| Heavy Atoms | 24 |
| Complexity | 723.9475 |
Chemical Identifiers
| CAS Number | 749262-82-6 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C/C(=C/NC2=CC=CC=C2)/C#N |
Product Overview
3-Anilino-2-(3,4,5,-trimethoxybenzyl)acrylonitrile, (Z)- (CAS 749262-82-6), with molecular formula C19H20N2O3 and molecular weight 324.15 g/mol. IUPAC: (Z)-3-anilino-2-[(3,4,5-trimethoxyphenyl)methyl]prop-2-enenitrile.
Chemical Property Profile of 3-Anilino-2-(3,4,5,-trimethoxybenzyl)acrylonitrile, (Z)-
Property Insights of 3-Anilino-2-(3,4,5,-trimethoxybenzyl)acrylonitrile, (Z)-
The XLogP value of 3.77448 indicates that 3-Anilino-2-(3,4,5,-trimethoxybenzyl)acrylonitrile, (Z)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.51 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Anilino-2-(3,4,5,-trimethoxybenzyl)acrylonitrile, (Z)-. Following Lipinski's Rule of Five, 3-Anilino-2-(3,4,5,-trimethoxybenzyl)acrylonitrile, (Z)- has 1 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 3-Anilino-2-(3,4,5,-trimethoxybenzyl)acrylonitrile, (Z)-?
The CAS number of 3-Anilino-2-(3,4,5,-trimethoxybenzyl)acrylonitrile, (Z)- is 749262-82-6.
What is the molecular formula of 3-Anilino-2-(3,4,5,-trimethoxybenzyl)acrylonitrile, (Z)-?
The molecular formula of 3-Anilino-2-(3,4,5,-trimethoxybenzyl)acrylonitrile, (Z)- is C19H20N2O3.
What is the molecular weight of 3-Anilino-2-(3,4,5,-trimethoxybenzyl)acrylonitrile, (Z)-?
The molecular weight of 3-Anilino-2-(3,4,5,-trimethoxybenzyl)acrylonitrile, (Z)- is 324.15 g/mol.
Where can I buy 3-Anilino-2-(3,4,5,-trimethoxybenzyl)acrylonitrile, (Z)-?
You can request a quote for 3-Anilino-2-(3,4,5,-trimethoxybenzyl)acrylonitrile, (Z)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Anilino-2-(3,4,5,-trimethoxybenzyl)acrylonitrile, (Z)-?
Yes, KEHONG BIO provides custom synthesis services for 3-Anilino-2-(3,4,5,-trimethoxybenzyl)acrylonitrile, (Z)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.