3-羟基-4-异丙基苯甲酸
TL;DR: 3-羟基-4-异丙基苯甲酸 (CAS 19420-59-8) is a chemical compound with molecular formula C10H12O3 and molecular weight 180.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-羟基-4-异丙基苯甲酸
3-hydroxy-4-propan-2-ylbenzoic acid
Also Known As: 3-Hydroxy-4-isopropylbenzoic acid, 3-hydroxy-4-propan-2-yl-benzoic Acid, 3-hydroxy-4-(propan-2-yl)benzoic acid, 3-hydroxy-4-propan-2-ylbenzoic acid, 3-Hydroxy-4-isopropylbenzoicacid
| Molecular Formula | C10H12O3 |
|---|---|
| Molecular Weight | 180.08 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 180.07864 |
| Heavy Atoms | 13 |
| Complexity | 189.0 |
Chemical Identifiers
| CAS Number | 19420-59-8 |
|---|---|
| SMILES | CC(C)C1=C(C=C(C=C1)C(=O)O)O |
| InChIKey | GBNCQQKBWZJIGX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-羟基-4-异丙基苯甲酸 (CAS 19420-59-8), with molecular formula C10H12O3 and molecular weight 180.08 g/mol. IUPAC: 3-hydroxy-4-propan-2-ylbenzoic acid.
Chemical Property Profile of 3-羟基-4-异丙基苯甲酸
Property Insights of 3-羟基-4-异丙基苯甲酸
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-羟基-4-异丙基苯甲酸. With a topological polar surface area (TPSA) of 57.5 Ų, 3-羟基-4-异丙基苯甲酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-羟基-4-异丙基苯甲酸 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 3-羟基-4-异丙基苯甲酸?
The CAS number of 3-羟基-4-异丙基苯甲酸 is 19420-59-8.
What is the molecular formula of 3-羟基-4-异丙基苯甲酸?
The molecular formula of 3-羟基-4-异丙基苯甲酸 is C10H12O3.
What is the molecular weight of 3-羟基-4-异丙基苯甲酸?
The molecular weight of 3-羟基-4-异丙基苯甲酸 is 180.08 g/mol.
Where can I buy 3-羟基-4-异丙基苯甲酸?
You can request a quote for 3-羟基-4-异丙基苯甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-羟基-4-异丙基苯甲酸?
Yes, KEHONG BIO provides custom synthesis services for 3-羟基-4-异丙基苯甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.