3,5-dichloro-N-pentan-2-ylaniline
TL;DR: 3,5-dichloro-N-pentan-2-ylaniline (CAS 111098-35-2) is a chemical compound with molecular formula C11H15Cl2N and molecular weight 231.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-dichloro-N-pentan-2-ylaniline
Also Known As: 3,5-dichloro-N-pentan-2-ylaniline, 3,5-dichloro-N-pentan-2-yl-aniline, 3,5-dichloro-N-(pentan-2-yl)aniline
| Molecular Formula | C11H15Cl2N |
|---|---|
| Molecular Weight | 231.06 g/mol |
| LogP | 4.5939 |
| Topological Polar Surface Area | 12.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 231.05815 |
| Heavy Atoms | 14 |
| Complexity | 279.08905 |
Chemical Identifiers
| CAS Number | 111098-35-2 |
|---|---|
| SMILES | CCCC(C)NC1=CC(=CC(=C1)Cl)Cl |
Product Overview
3,5-dichloro-N-pentan-2-ylaniline (CAS 111098-35-2), with molecular formula C11H15Cl2N and molecular weight 231.06 g/mol. IUPAC: 3,5-dichloro-N-pentan-2-ylaniline.
Chemical Property Profile of 3,5-dichloro-N-pentan-2-ylaniline
Property Insights of 3,5-dichloro-N-pentan-2-ylaniline
The XLogP value of 4.5939 indicates that 3,5-dichloro-N-pentan-2-ylaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.03 Ų, 3,5-dichloro-N-pentan-2-ylaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-dichloro-N-pentan-2-ylaniline 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 3,5-dichloro-N-pentan-2-ylaniline?
The CAS number of 3,5-dichloro-N-pentan-2-ylaniline is 111098-35-2.
What is the molecular formula of 3,5-dichloro-N-pentan-2-ylaniline?
The molecular formula of 3,5-dichloro-N-pentan-2-ylaniline is C11H15Cl2N.
What is the molecular weight of 3,5-dichloro-N-pentan-2-ylaniline?
The molecular weight of 3,5-dichloro-N-pentan-2-ylaniline is 231.06 g/mol.
Where can I buy 3,5-dichloro-N-pentan-2-ylaniline?
You can request a quote for 3,5-dichloro-N-pentan-2-ylaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-dichloro-N-pentan-2-ylaniline?
Yes, KEHONG BIO provides custom synthesis services for 3,5-dichloro-N-pentan-2-ylaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.