3-叔丁基-6-甲基水杨酸
TL;DR: 3-叔丁基-6-甲基水杨酸 (CAS 6934-03-8) 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.
3-叔丁基-6-甲基水杨酸
3-tert-butyl-2-hydroxy-6-methylbenzoic acid
Also Known As: salycilic acid, 3-tert-butyl-6-methylsalicylic acid, 3-tert-butyl-2-hydroxy-6-methylbenzoic acid, 2-Methyl-5-tert-butylsalicylic acid, 3-tert-Butyl-6-methylsalycilic acid
| Molecular Formula | C12H16O3 |
|---|---|
| Molecular Weight | 208.11 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 208.10994 |
| Heavy Atoms | 15 |
| Complexity | 242.0 |
Chemical Identifiers
| CAS Number | 6934-03-8 |
|---|---|
| SMILES | CC1=C(C(=C(C=C1)C(C)(C)C)O)C(=O)O |
| InChIKey | JXQCUCDXLSGQNZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-叔丁基-6-甲基水杨酸 (CAS 6934-03-8), with molecular formula C12H16O3 and molecular weight 208.11 g/mol. IUPAC: 3-tert-butyl-2-hydroxy-6-methylbenzoic acid.
Chemical Property Profile of 3-叔丁基-6-甲基水杨酸
Property Insights of 3-叔丁基-6-甲基水杨酸
The XLogP value of 3.7 indicates that 3-叔丁基-6-甲基水杨酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.5 Ų, 3-叔丁基-6-甲基水杨酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-叔丁基-6-甲基水杨酸 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-叔丁基-6-甲基水杨酸?
The CAS number of 3-叔丁基-6-甲基水杨酸 is 6934-03-8.
What is the molecular formula of 3-叔丁基-6-甲基水杨酸?
The molecular formula of 3-叔丁基-6-甲基水杨酸 is C12H16O3.
What is the molecular weight of 3-叔丁基-6-甲基水杨酸?
The molecular weight of 3-叔丁基-6-甲基水杨酸 is 208.11 g/mol.
Where can I buy 3-叔丁基-6-甲基水杨酸?
You can request a quote for 3-叔丁基-6-甲基水杨酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-叔丁基-6-甲基水杨酸?
Yes, KEHONG BIO provides custom synthesis services for 3-叔丁基-6-甲基水杨酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.