4-Bromo-2-(5,7-ditert-butyl-2,3-dihydro-1,3-benzoxazol-2-yl)phenol
TL;DR: 4-Bromo-2-(5,7-ditert-butyl-2,3-dihydro-1,3-benzoxazol-2-yl)phenol (CAS 371947-08-9) is a chemical compound with molecular formula C21H26BrNO2 and molecular weight 403.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromo-2-(5,7-ditert-butyl-2,3-dihydro-1,3-benzoxazol-2-yl)phenol
Also Known As: 4-bromo-2-(5,7-ditert-butyl-2,3-dihydro-1,3-benzoxazol-2-yl)phenol, 4-bromo-2-(5,7-di-tert-butyl-2,3-dihydro-1,3-benzoxazol-2-yl)phenol, 4-bromo-2-(5,7-di-tert-butyl-2,3-dihydrobenzo[d]oxazol-2-yl)phenol
| Molecular Formula | C21H26BrNO2 |
|---|---|
| Molecular Weight | 403.11 g/mol |
| LogP | 6.2528 |
| Topological Polar Surface Area | 41.49 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 403.1147 |
| Heavy Atoms | 25 |
| Complexity | 815.86646 |
Chemical Identifiers
| CAS Number | 371947-08-9 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=C2C(=C1)NC(O2)C3=C(C=CC(=C3)Br)O)C(C)(C)C |
Product Overview
4-Bromo-2-(5,7-ditert-butyl-2,3-dihydro-1,3-benzoxazol-2-yl)phenol (CAS 371947-08-9), with molecular formula C21H26BrNO2 and molecular weight 403.11 g/mol. IUPAC: 4-bromo-2-(5,7-ditert-butyl-2,3-dihydro-1,3-benzoxazol-2-yl)phenol.
Chemical Property Profile of 4-Bromo-2-(5,7-ditert-butyl-2,3-dihydro-1,3-benzoxazol-2-yl)phenol
Property Insights of 4-Bromo-2-(5,7-ditert-butyl-2,3-dihydro-1,3-benzoxazol-2-yl)phenol
The XLogP value of 6.2528 indicates that 4-Bromo-2-(5,7-ditert-butyl-2,3-dihydro-1,3-benzoxazol-2-yl)phenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.49 Ų, 4-Bromo-2-(5,7-ditert-butyl-2,3-dihydro-1,3-benzoxazol-2-yl)phenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Bromo-2-(5,7-ditert-butyl-2,3-dihydro-1,3-benzoxazol-2-yl)phenol has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-Bromo-2-(5,7-ditert-butyl-2,3-dihydro-1,3-benzoxazol-2-yl)phenol?
The CAS number of 4-Bromo-2-(5,7-ditert-butyl-2,3-dihydro-1,3-benzoxazol-2-yl)phenol is 371947-08-9.
What is the molecular formula of 4-Bromo-2-(5,7-ditert-butyl-2,3-dihydro-1,3-benzoxazol-2-yl)phenol?
The molecular formula of 4-Bromo-2-(5,7-ditert-butyl-2,3-dihydro-1,3-benzoxazol-2-yl)phenol is C21H26BrNO2.
What is the molecular weight of 4-Bromo-2-(5,7-ditert-butyl-2,3-dihydro-1,3-benzoxazol-2-yl)phenol?
The molecular weight of 4-Bromo-2-(5,7-ditert-butyl-2,3-dihydro-1,3-benzoxazol-2-yl)phenol is 403.11 g/mol.
Where can I buy 4-Bromo-2-(5,7-ditert-butyl-2,3-dihydro-1,3-benzoxazol-2-yl)phenol?
You can request a quote for 4-Bromo-2-(5,7-ditert-butyl-2,3-dihydro-1,3-benzoxazol-2-yl)phenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Bromo-2-(5,7-ditert-butyl-2,3-dihydro-1,3-benzoxazol-2-yl)phenol?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromo-2-(5,7-ditert-butyl-2,3-dihydro-1,3-benzoxazol-2-yl)phenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.