4-(3-甲基丁氧基)苯胺
TL;DR: 4-(3-甲基丁氧基)苯胺 (CAS 5198-05-0) is a chemical compound with molecular formula C11H17NO and molecular weight 179.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-甲基丁氧基)苯胺
4-(3-methylbutoxy)aniline
Also Known As: 4-(3-methylbutoxy)aniline, 4-Isopentyloxyaniline, 4-(isopentyloxy)aniline, p-(Isopentyloxy)aniline, p-(Isoamyloxy)aniline
| Molecular Formula | C11H17NO |
|---|---|
| Molecular Weight | 179.13 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 35.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 179.13101 |
| Heavy Atoms | 13 |
| Complexity | 128.0 |
Chemical Identifiers
| CAS Number | 5198-05-0 |
|---|---|
| SMILES | CC(C)CCOC1=CC=C(C=C1)N |
| InChIKey | LXWFHMREWLOKLM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(3-甲基丁氧基)苯胺 (CAS 5198-05-0), with molecular formula C11H17NO and molecular weight 179.13 g/mol. IUPAC: 4-(3-methylbutoxy)aniline.
Chemical Property Profile of 4-(3-甲基丁氧基)苯胺
Property Insights of 4-(3-甲基丁氧基)苯胺
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(3-甲基丁氧基)苯胺. With a topological polar surface area (TPSA) of 35.3 Ų, 4-(3-甲基丁氧基)苯胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(3-甲基丁氧基)苯胺 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 4-(3-甲基丁氧基)苯胺?
The CAS number of 4-(3-甲基丁氧基)苯胺 is 5198-05-0.
What is the molecular formula of 4-(3-甲基丁氧基)苯胺?
The molecular formula of 4-(3-甲基丁氧基)苯胺 is C11H17NO.
What is the molecular weight of 4-(3-甲基丁氧基)苯胺?
The molecular weight of 4-(3-甲基丁氧基)苯胺 is 179.13 g/mol.
Where can I buy 4-(3-甲基丁氧基)苯胺?
You can request a quote for 4-(3-甲基丁氧基)苯胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(3-甲基丁氧基)苯胺?
Yes, KEHONG BIO provides custom synthesis services for 4-(3-甲基丁氧基)苯胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.