4-(1,1-二甲基乙基)苯亚磺酸
TL;DR: 4-(1,1-二甲基乙基)苯亚磺酸 (CAS 88576-64-1) is a chemical compound with molecular formula C10H14O2S and molecular weight 198.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1,1-二甲基乙基)苯亚磺酸
4-tert-butylbenzenesulfinic acid
Also Known As: 4-tert-butylbenzenesulfinic Acid, Benzenesulfinic acid, 4-(1,1-dimethylethyl)-, 4-tert-butylbenzene-1-sulfinic acid, J2.294.283B, RefChem:325207
| Molecular Formula | C10H14O2S |
|---|---|
| Molecular Weight | 198.07 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 56.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 198.07146 |
| Heavy Atoms | 13 |
| Complexity | 188.0 |
Chemical Identifiers
| CAS Number | 88576-64-1 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)S(=O)O |
| InChIKey | JLHJMAPTGYSCRN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(1,1-二甲基乙基)苯亚磺酸 (CAS 88576-64-1), with molecular formula C10H14O2S and molecular weight 198.07 g/mol. IUPAC: 4-tert-butylbenzenesulfinic acid.
Chemical Property Profile of 4-(1,1-二甲基乙基)苯亚磺酸
Property Insights of 4-(1,1-二甲基乙基)苯亚磺酸
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(1,1-二甲基乙基)苯亚磺酸. With a topological polar surface area (TPSA) of 56.5 Ų, 4-(1,1-二甲基乙基)苯亚磺酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(1,1-二甲基乙基)苯亚磺酸 has 1 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-(1,1-二甲基乙基)苯亚磺酸?
The CAS number of 4-(1,1-二甲基乙基)苯亚磺酸 is 88576-64-1.
What is the molecular formula of 4-(1,1-二甲基乙基)苯亚磺酸?
The molecular formula of 4-(1,1-二甲基乙基)苯亚磺酸 is C10H14O2S.
What is the molecular weight of 4-(1,1-二甲基乙基)苯亚磺酸?
The molecular weight of 4-(1,1-二甲基乙基)苯亚磺酸 is 198.07 g/mol.
Where can I buy 4-(1,1-二甲基乙基)苯亚磺酸?
You can request a quote for 4-(1,1-二甲基乙基)苯亚磺酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(1,1-二甲基乙基)苯亚磺酸?
Yes, KEHONG BIO provides custom synthesis services for 4-(1,1-二甲基乙基)苯亚磺酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.