3-chloro-4-methoxy-N-(2,3,4-trimethoxybenzyl)aniline
TL;DR: 3-chloro-4-methoxy-N-(2,3,4-trimethoxybenzyl)aniline (CAS 714202-62-7) is a chemical compound with molecular formula C17H20ClNO4 and molecular weight 337.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-4-methoxy-N-[(2,3,4-trimethoxyphenyl)methyl]aniline
Also Known As: 3-chloro-4-methoxy-N-(2,3,4-trimethoxybenzyl)aniline, AN-465/42834588, 3-chloro-4-methoxy-N-[(2,3,4-trimethoxyphenyl)methyl]aniline, (3-Chloro-4-methoxy-phenyl)-(2,3,4-trimethoxy-benzyl)-amine
| Molecular Formula | C17H20ClNO4 |
|---|---|
| Molecular Weight | 337.11 g/mol |
| LogP | 3.9865 |
| Topological Polar Surface Area | 48.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 337.1081 |
| Heavy Atoms | 23 |
| Complexity | 675.88324 |
Chemical Identifiers
| CAS Number | 714202-62-7 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)NCC2=C(C(=C(C=C2)OC)OC)OC)Cl |
Product Overview
3-chloro-4-methoxy-N-(2,3,4-trimethoxybenzyl)aniline (CAS 714202-62-7), with molecular formula C17H20ClNO4 and molecular weight 337.11 g/mol. IUPAC: 3-chloro-4-methoxy-N-[(2,3,4-trimethoxyphenyl)methyl]aniline.
Chemical Property Profile of 3-chloro-4-methoxy-N-(2,3,4-trimethoxybenzyl)aniline
Property Insights of 3-chloro-4-methoxy-N-(2,3,4-trimethoxybenzyl)aniline
The XLogP value of 3.9865 indicates that 3-chloro-4-methoxy-N-(2,3,4-trimethoxybenzyl)aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.95 Ų, 3-chloro-4-methoxy-N-(2,3,4-trimethoxybenzyl)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-chloro-4-methoxy-N-(2,3,4-trimethoxybenzyl)aniline 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-chloro-4-methoxy-N-(2,3,4-trimethoxybenzyl)aniline?
The CAS number of 3-chloro-4-methoxy-N-(2,3,4-trimethoxybenzyl)aniline is 714202-62-7.
What is the molecular formula of 3-chloro-4-methoxy-N-(2,3,4-trimethoxybenzyl)aniline?
The molecular formula of 3-chloro-4-methoxy-N-(2,3,4-trimethoxybenzyl)aniline is C17H20ClNO4.
What is the molecular weight of 3-chloro-4-methoxy-N-(2,3,4-trimethoxybenzyl)aniline?
The molecular weight of 3-chloro-4-methoxy-N-(2,3,4-trimethoxybenzyl)aniline is 337.11 g/mol.
Where can I buy 3-chloro-4-methoxy-N-(2,3,4-trimethoxybenzyl)aniline?
You can request a quote for 3-chloro-4-methoxy-N-(2,3,4-trimethoxybenzyl)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-chloro-4-methoxy-N-(2,3,4-trimethoxybenzyl)aniline?
Yes, KEHONG BIO provides custom synthesis services for 3-chloro-4-methoxy-N-(2,3,4-trimethoxybenzyl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.