4-(4-甲基-1-哌嗪基)苯胺
TL;DR: 4-(4-甲基-1-哌嗪基)苯胺 (CAS 16153-81-4) is a chemical compound with molecular formula C12H16O3 and molecular weight 208.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-甲基-1-哌嗪基)苯胺
2-hydroxy-3-(2-methylbutan-2-yl)benzoic acid
Also Known As: Benzoic acid,3-(1,1-dimethylpropyl)-2-hydroxy-, 2-hydroxy-3-(2-methylbutan-2-yl)benzoic acid, Benzoic acid, 3-(1,1-dimethylpropyl)-2-hydroxy-
| Molecular Formula | C12H16O3 |
|---|---|
| Molecular Weight | 208.11 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 208.10994 |
| Heavy Atoms | 15 |
| Complexity | 235.0 |
Chemical Identifiers
| CAS Number | 16153-81-4 |
|---|---|
| SMILES | CCC(C)(C)C1=CC=CC(=C1O)C(=O)O |
| InChIKey | VENCMOIGQAVUMK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(4-甲基-1-哌嗪基)苯胺 (CAS 16153-81-4), with molecular formula C12H16O3 and molecular weight 208.11 g/mol. IUPAC: 2-hydroxy-3-(2-methylbutan-2-yl)benzoic acid.
Chemical Property Profile of 4-(4-甲基-1-哌嗪基)苯胺
Property Insights of 4-(4-甲基-1-哌嗪基)苯胺
The XLogP value of 4.7 indicates that 4-(4-甲基-1-哌嗪基)苯胺 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.5 Ų, 4-(4-甲基-1-哌嗪基)苯胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(4-甲基-1-哌嗪基)苯胺 has 2 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 4-(4-甲基-1-哌嗪基)苯胺?
The CAS number of 4-(4-甲基-1-哌嗪基)苯胺 is 16153-81-4.
What is the molecular formula of 4-(4-甲基-1-哌嗪基)苯胺?
The molecular formula of 4-(4-甲基-1-哌嗪基)苯胺 is C12H16O3.
What is the molecular weight of 4-(4-甲基-1-哌嗪基)苯胺?
The molecular weight of 4-(4-甲基-1-哌嗪基)苯胺 is 208.11 g/mol.
Where can I buy 4-(4-甲基-1-哌嗪基)苯胺?
You can request a quote for 4-(4-甲基-1-哌嗪基)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-(4-甲基-1-哌嗪基)苯胺?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-甲基-1-哌嗪基)苯胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.