2-羟基-5-叔丁基苄醇
TL;DR: 2-羟基-5-叔丁基苄醇 (CAS 6638-87-5) is a chemical compound with molecular formula C11H16O2 and molecular weight 180.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-羟基-5-叔丁基苄醇
4-tert-butyl-2-(hydroxymethyl)phenol
Also Known As: 2-Ohtbubz alcohol, 4-tert-butyl-2-(hydroxymethyl)phenol, 2-Hydroxy-5-tert-butylbenzyl alcohol, 4-(tert-butyl)-2-(hydroxymethyl)phenol, 2-hydroxymethyl-p-t-butylphenol
| Molecular Formula | C11H16O2 |
|---|---|
| Molecular Weight | 180.12 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 180.11504 |
| Heavy Atoms | 13 |
| Complexity | 160.0 |
Chemical Identifiers
| CAS Number | 6638-87-5 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=C(C=C1)O)CO |
| InChIKey | YBCYCPJHEXJDAN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-羟基-5-叔丁基苄醇 (CAS 6638-87-5), with molecular formula C11H16O2 and molecular weight 180.12 g/mol. IUPAC: 4-tert-butyl-2-(hydroxymethyl)phenol.
Chemical Property Profile of 2-羟基-5-叔丁基苄醇
Property Insights of 2-羟基-5-叔丁基苄醇
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-羟基-5-叔丁基苄醇. With a topological polar surface area (TPSA) of 40.5 Ų, 2-羟基-5-叔丁基苄醇 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-羟基-5-叔丁基苄醇 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 2-羟基-5-叔丁基苄醇?
The CAS number of 2-羟基-5-叔丁基苄醇 is 6638-87-5.
What is the molecular formula of 2-羟基-5-叔丁基苄醇?
The molecular formula of 2-羟基-5-叔丁基苄醇 is C11H16O2.
What is the molecular weight of 2-羟基-5-叔丁基苄醇?
The molecular weight of 2-羟基-5-叔丁基苄醇 is 180.12 g/mol.
Where can I buy 2-羟基-5-叔丁基苄醇?
You can request a quote for 2-羟基-5-叔丁基苄醇 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-羟基-5-叔丁基苄醇?
Yes, KEHONG BIO provides custom synthesis services for 2-羟基-5-叔丁基苄醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.