3-Chloro-4-(propan-2-yloxy)aniline
TL;DR: 3-Chloro-4-(propan-2-yloxy)aniline (CAS 5211-04-1) is a chemical compound with molecular formula C9H12ClNO and molecular weight 185.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-4-propan-2-yloxyaniline
Also Known As: 3-chloro-4-isopropoxyaniline, 3-Chloro-4-isopropoxy-phenylamine, 3-chloro-4-propan-2-yloxyaniline, (3-chloro-4-isopropoxyphenyl)amine, 3-chloro-4-(propan-2-yloxy)aniline
| Molecular Formula | C9H12ClNO |
|---|---|
| Molecular Weight | 185.06 g/mol |
| LogP | 2.7094 |
| Topological Polar Surface Area | 35.25 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 185.06075 |
| Heavy Atoms | 12 |
| Complexity | 273.23108 |
Chemical Identifiers
| CAS Number | 5211-04-1 |
|---|---|
| SMILES | CC(C)OC1=C(C=C(C=C1)N)Cl |
Product Overview
3-Chloro-4-(propan-2-yloxy)aniline (CAS 5211-04-1), with molecular formula C9H12ClNO and molecular weight 185.06 g/mol. IUPAC: 3-chloro-4-propan-2-yloxyaniline.
Chemical Property Profile of 3-Chloro-4-(propan-2-yloxy)aniline
Property Insights of 3-Chloro-4-(propan-2-yloxy)aniline
The XLogP value of 2.7094 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Chloro-4-(propan-2-yloxy)aniline. With a topological polar surface area (TPSA) of 35.25 Ų, 3-Chloro-4-(propan-2-yloxy)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chloro-4-(propan-2-yloxy)aniline 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 3-Chloro-4-(propan-2-yloxy)aniline?
The CAS number of 3-Chloro-4-(propan-2-yloxy)aniline is 5211-04-1.
What is the molecular formula of 3-Chloro-4-(propan-2-yloxy)aniline?
The molecular formula of 3-Chloro-4-(propan-2-yloxy)aniline is C9H12ClNO.
What is the molecular weight of 3-Chloro-4-(propan-2-yloxy)aniline?
The molecular weight of 3-Chloro-4-(propan-2-yloxy)aniline is 185.06 g/mol.
Where can I buy 3-Chloro-4-(propan-2-yloxy)aniline?
You can request a quote for 3-Chloro-4-(propan-2-yloxy)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-(propan-2-yloxy)aniline?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloro-4-(propan-2-yloxy)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.