對叔丁基鄰苯二酚
TL;DR: 對叔丁基鄰苯二酚 (CAS 98-29-3) is a chemical compound with molecular formula C10H14O2 and molecular weight 166.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
對叔丁基鄰苯二酚
4-tert-butylbenzene-1,2-diol
Also Known As: 4-tert-Butylcatechol, p-tert-Butylcatechol, 4-(tert-butyl)benzene-1,2-diol, 4-tert-Butylpyrocatechol, p-tert-Butyl catechol
| Molecular Formula | C10H14O2 |
|---|---|
| Molecular Weight | 166.10 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 166.09938 |
| Heavy Atoms | 12 |
| Complexity | 148.0 |
| Melting Point | 52 °C |
| Boiling Point | 285 °C @760 [mm Hg] |
| Density | 1.0496 @25 °C |
| Flash Point | 130 °C |
| Vapor Pressure | 0.0028 [mmHg] |
Chemical Identifiers
| CAS Number | 98-29-3 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=C(C=C1)O)O |
| InChIKey | XESZUVZBAMCAEJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
對叔丁基鄰苯二酚 (CAS 98-29-3), with molecular formula C10H14O2 and molecular weight 166.10 g/mol. IUPAC: 4-tert-butylbenzene-1,2-diol.
Chemical Property Profile of 對叔丁基鄰苯二酚
Property Insights of 對叔丁基鄰苯二酚
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 對叔丁基鄰苯二酚. With a topological polar surface area (TPSA) of 40.5 Ų, 對叔丁基鄰苯二酚 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 對叔丁基鄰苯二酚 has 2 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 對叔丁基鄰苯二酚?
The CAS number of 對叔丁基鄰苯二酚 is 98-29-3.
What is the molecular formula of 對叔丁基鄰苯二酚?
The molecular formula of 對叔丁基鄰苯二酚 is C10H14O2.
What is the molecular weight of 對叔丁基鄰苯二酚?
The molecular weight of 對叔丁基鄰苯二酚 is 166.10 g/mol.
Where can I buy 對叔丁基鄰苯二酚?
You can request a quote for 對叔丁基鄰苯二酚 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 對叔丁基鄰苯二酚?
Yes, KEHONG BIO provides custom synthesis services for 對叔丁基鄰苯二酚 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.