3-苯胺基-2-(3,4,5-三甲氧基苄基)丙烯腈
TL;DR: 3-苯胺基-2-(3,4,5-三甲氧基苄基)丙烯腈 (CAS 30078-48-9) 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.
3-苯胺基-2-(3,4,5-三甲氧基苄基)丙烯腈
3-anilino-2-[(3,4,5-trimethoxyphenyl)methyl]prop-2-enenitrile
Also Known As: Trimethoprim Impurity I, Trimethoprim EP Impurity I, 3-Anilino-2-(3,4,5-trimethoxybenzyl)acrylonitrile, 3-Anilino-2-(3,4,5,-trimethoxybenzyl)acrylonitrile, 3-anilino-2-[(3,4,5-trimethoxyphenyl)methyl]prop-2-enenitrile
| Molecular Formula | C19H20N2O3 |
|---|---|
| Molecular Weight | 324.15 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 63.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 324.1474 |
| Heavy Atoms | 24 |
| Complexity | 437.0 |
Chemical Identifiers
| CAS Number | 30078-48-9 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)CC(=CNC2=CC=CC=C2)C#N |
| InChIKey | LMGNGGBSQVPQCO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-苯胺基-2-(3,4,5-三甲氧基苄基)丙烯腈 (CAS 30078-48-9), with molecular formula C19H20N2O3 and molecular weight 324.15 g/mol. IUPAC: 3-anilino-2-[(3,4,5-trimethoxyphenyl)methyl]prop-2-enenitrile.
Chemical Property Profile of 3-苯胺基-2-(3,4,5-三甲氧基苄基)丙烯腈
Property Insights of 3-苯胺基-2-(3,4,5-三甲氧基苄基)丙烯腈
The XLogP value of 4.2 indicates that 3-苯胺基-2-(3,4,5-三甲氧基苄基)丙烯腈 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-苯胺基-2-(3,4,5-三甲氧基苄基)丙烯腈. Following Lipinski's Rule of Five, 3-苯胺基-2-(3,4,5-三甲氧基苄基)丙烯腈 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-苯胺基-2-(3,4,5-三甲氧基苄基)丙烯腈?
The CAS number of 3-苯胺基-2-(3,4,5-三甲氧基苄基)丙烯腈 is 30078-48-9.
What is the molecular formula of 3-苯胺基-2-(3,4,5-三甲氧基苄基)丙烯腈?
The molecular formula of 3-苯胺基-2-(3,4,5-三甲氧基苄基)丙烯腈 is C19H20N2O3.
What is the molecular weight of 3-苯胺基-2-(3,4,5-三甲氧基苄基)丙烯腈?
The molecular weight of 3-苯胺基-2-(3,4,5-三甲氧基苄基)丙烯腈 is 324.15 g/mol.
Where can I buy 3-苯胺基-2-(3,4,5-三甲氧基苄基)丙烯腈?
You can request a quote for 3-苯胺基-2-(3,4,5-三甲氧基苄基)丙烯腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-苯胺基-2-(3,4,5-三甲氧基苄基)丙烯腈?
Yes, KEHONG BIO provides custom synthesis services for 3-苯胺基-2-(3,4,5-三甲氧基苄基)丙烯腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.