3-Chloro-4-(3-methoxy-3-methylbutoxy)aniline
TL;DR: 3-Chloro-4-(3-methoxy-3-methylbutoxy)aniline (CAS 84138-77-2) is a chemical compound with molecular formula C12H18ClNO2 and molecular weight 243.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-4-(3-methoxy-3-methylbutoxy)aniline
Also Known As: 3-chloro-4-(3-methoxy-3-methylbutoxy)aniline, 3-Chloro-4-(3-methoxy-3-methyl-butoxy)-phenylamine, ASN 14599373, 3-chloro-4-(3-methoxy-3-methyl-butoxy)aniline, 3-Chloro-4-(3-methoxy-3-methylbutoxy)benzenamine
| Molecular Formula | C12H18ClNO2 |
|---|---|
| Molecular Weight | 243.10 g/mol |
| LogP | 3.1161 |
| Topological Polar Surface Area | 44.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 243.1026 |
| Heavy Atoms | 16 |
| Complexity | 352.87204 |
Chemical Identifiers
| CAS Number | 84138-77-2 |
|---|---|
| SMILES | CC(C)(CCOC1=C(C=C(C=C1)N)Cl)OC |
Product Overview
3-Chloro-4-(3-methoxy-3-methylbutoxy)aniline (CAS 84138-77-2), with molecular formula C12H18ClNO2 and molecular weight 243.10 g/mol. IUPAC: 3-chloro-4-(3-methoxy-3-methylbutoxy)aniline.
Chemical Property Profile of 3-Chloro-4-(3-methoxy-3-methylbutoxy)aniline
Property Insights of 3-Chloro-4-(3-methoxy-3-methylbutoxy)aniline
The XLogP value of 3.1161 indicates that 3-Chloro-4-(3-methoxy-3-methylbutoxy)aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.48 Ų, 3-Chloro-4-(3-methoxy-3-methylbutoxy)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chloro-4-(3-methoxy-3-methylbutoxy)aniline has 1 hydrogen bond donor(s) and 3 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-(3-methoxy-3-methylbutoxy)aniline?
The CAS number of 3-Chloro-4-(3-methoxy-3-methylbutoxy)aniline is 84138-77-2.
What is the molecular formula of 3-Chloro-4-(3-methoxy-3-methylbutoxy)aniline?
The molecular formula of 3-Chloro-4-(3-methoxy-3-methylbutoxy)aniline is C12H18ClNO2.
What is the molecular weight of 3-Chloro-4-(3-methoxy-3-methylbutoxy)aniline?
The molecular weight of 3-Chloro-4-(3-methoxy-3-methylbutoxy)aniline is 243.10 g/mol.
Where can I buy 3-Chloro-4-(3-methoxy-3-methylbutoxy)aniline?
You can request a quote for 3-Chloro-4-(3-methoxy-3-methylbutoxy)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-(3-methoxy-3-methylbutoxy)aniline?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloro-4-(3-methoxy-3-methylbutoxy)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.