2-Tert-butyl-5-chloroaniline
TL;DR: 2-Tert-butyl-5-chloroaniline (CAS 25414-78-2) is a chemical compound with molecular formula C10H14ClN and molecular weight 183.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-tert-butyl-5-chloroaniline
Also Known As: 2-tert-butyl-5-chloroaniline, 2-(tert-Butyl)-5-chloroaniline, Aniline, 2-tert-butyl-5-chloro-, 5-Chloro-2-(2-methyl-2-propanyl)aniline, 839-686-9
| Molecular Formula | C10H14ClN |
|---|---|
| Molecular Weight | 183.08 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 26.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 183.08148 |
| Heavy Atoms | 12 |
| Complexity | 150.0 |
Chemical Identifiers
| CAS Number | 25414-78-2 |
|---|---|
| SMILES | CC(C)(C)C1=C(C=C(C=C1)Cl)N |
| InChIKey | GPHHXAWTNRXRAO-UHFFFAOYSA-N |
Product Overview
2-Tert-butyl-5-chloroaniline (CAS 25414-78-2), with molecular formula C10H14ClN and molecular weight 183.08 g/mol. IUPAC: 2-tert-butyl-5-chloroaniline.
Chemical Property Profile of 2-Tert-butyl-5-chloroaniline
Property Insights of 2-Tert-butyl-5-chloroaniline
The XLogP value of 3.5 indicates that 2-Tert-butyl-5-chloroaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.0 Ų, 2-Tert-butyl-5-chloroaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Tert-butyl-5-chloroaniline has 1 hydrogen bond donor(s) and 1 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 2-Tert-butyl-5-chloroaniline?
The CAS number of 2-Tert-butyl-5-chloroaniline is 25414-78-2.
What is the molecular formula of 2-Tert-butyl-5-chloroaniline?
The molecular formula of 2-Tert-butyl-5-chloroaniline is C10H14ClN.
What is the molecular weight of 2-Tert-butyl-5-chloroaniline?
The molecular weight of 2-Tert-butyl-5-chloroaniline is 183.08 g/mol.
Where can I buy 2-Tert-butyl-5-chloroaniline?
You can request a quote for 2-Tert-butyl-5-chloroaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Tert-butyl-5-chloroaniline?
Yes, KEHONG BIO provides custom synthesis services for 2-Tert-butyl-5-chloroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.