![5-chloro-N-[(3-chloro-4-prop-2-ynoxyphenyl)methyl]-2-methylaniline structure](/static/products/6938/693814-68-5.webp)
5-chloro-N-[(3-chloro-4-prop-2-ynoxyphenyl)methyl]-2-methylaniline
TL;DR: 5-chloro-N-[(3-chloro-4-prop-2-ynoxyphenyl)methyl]-2-methylaniline (CAS 693814-68-5) is a chemical compound with molecular formula C17H15Cl2NO and molecular weight 319.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-N-[(3-chloro-4-prop-2-ynoxyphenyl)methyl]-2-methylaniline
Also Known As: 5-chloro-N-[(3-chloro-4-prop-2-ynoxyphenyl)methyl]-2-methylaniline, 5-chloro-N-[3-chloro-4-(prop-2-yn-1-yloxy)benzyl]-2-methylaniline
| Molecular Formula | C17H15Cl2NO |
|---|---|
| Molecular Weight | 319.05 g/mol |
| LogP | 4.92592 |
| Topological Polar Surface Area | 21.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 319.05307 |
| Heavy Atoms | 21 |
| Complexity | 676.9757 |
Chemical Identifiers
| CAS Number | 693814-68-5 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)Cl)NCC2=CC(=C(C=C2)OCC#C)Cl |
Product Overview
5-chloro-N-[(3-chloro-4-prop-2-ynoxyphenyl)methyl]-2-methylaniline (CAS 693814-68-5), with molecular formula C17H15Cl2NO and molecular weight 319.05 g/mol. IUPAC: 5-chloro-N-[(3-chloro-4-prop-2-ynoxyphenyl)methyl]-2-methylaniline.
Chemical Property Profile of 5-chloro-N-[(3-chloro-4-prop-2-ynoxyphenyl)methyl]-2-methylaniline
Property Insights of 5-chloro-N-[(3-chloro-4-prop-2-ynoxyphenyl)methyl]-2-methylaniline
The XLogP value of 4.92592 indicates that 5-chloro-N-[(3-chloro-4-prop-2-ynoxyphenyl)methyl]-2-methylaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 21.26 Ų, 5-chloro-N-[(3-chloro-4-prop-2-ynoxyphenyl)methyl]-2-methylaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-chloro-N-[(3-chloro-4-prop-2-ynoxyphenyl)methyl]-2-methylaniline has 1 hydrogen bond donor(s) and 2 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 5-chloro-N-[(3-chloro-4-prop-2-ynoxyphenyl)methyl]-2-methylaniline?
The CAS number of 5-chloro-N-[(3-chloro-4-prop-2-ynoxyphenyl)methyl]-2-methylaniline is 693814-68-5.
What is the molecular formula of 5-chloro-N-[(3-chloro-4-prop-2-ynoxyphenyl)methyl]-2-methylaniline?
The molecular formula of 5-chloro-N-[(3-chloro-4-prop-2-ynoxyphenyl)methyl]-2-methylaniline is C17H15Cl2NO.
What is the molecular weight of 5-chloro-N-[(3-chloro-4-prop-2-ynoxyphenyl)methyl]-2-methylaniline?
The molecular weight of 5-chloro-N-[(3-chloro-4-prop-2-ynoxyphenyl)methyl]-2-methylaniline is 319.05 g/mol.
Where can I buy 5-chloro-N-[(3-chloro-4-prop-2-ynoxyphenyl)methyl]-2-methylaniline?
You can request a quote for 5-chloro-N-[(3-chloro-4-prop-2-ynoxyphenyl)methyl]-2-methylaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-chloro-N-[(3-chloro-4-prop-2-ynoxyphenyl)methyl]-2-methylaniline?
Yes, KEHONG BIO provides custom synthesis services for 5-chloro-N-[(3-chloro-4-prop-2-ynoxyphenyl)methyl]-2-methylaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.