3,5-Di-tert-butyl-4-hydroxybenzoyl chloride
TL;DR: 3,5-Di-tert-butyl-4-hydroxybenzoyl chloride (CAS 40056-43-7) is a chemical compound with molecular formula C15H21ClO2 and molecular weight 268.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-ditert-butyl-4-hydroxybenzoyl chloride
Also Known As: 3,5-di-tert-butyl-4-hydroxybenzoyl chloride, 3,5-ditert-butyl-4-hydroxybenzoyl chloride, 3,5-di-t-butyl-4-hydroxybenzoyl chloride, 3,5-di-t-butyl-4hydroxybenzoyl chloride, 4-hydroxy-3,5-di-tert-butylbenzoyl chloride
| Molecular Formula | C15H21ClO2 |
|---|---|
| Molecular Weight | 268.12 g/mol |
| LogP | 4.3662 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 268.12302 |
| Heavy Atoms | 18 |
| Complexity | 441.24258 |
Chemical Identifiers
| CAS Number | 40056-43-7 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)Cl |
Product Overview
3,5-Di-tert-butyl-4-hydroxybenzoyl chloride (CAS 40056-43-7), with molecular formula C15H21ClO2 and molecular weight 268.12 g/mol. IUPAC: 3,5-ditert-butyl-4-hydroxybenzoyl chloride.
Chemical Property Profile of 3,5-Di-tert-butyl-4-hydroxybenzoyl chloride
Property Insights of 3,5-Di-tert-butyl-4-hydroxybenzoyl chloride
The XLogP value of 4.3662 indicates that 3,5-Di-tert-butyl-4-hydroxybenzoyl chloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 3,5-Di-tert-butyl-4-hydroxybenzoyl chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-Di-tert-butyl-4-hydroxybenzoyl chloride has 1 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 3,5-Di-tert-butyl-4-hydroxybenzoyl chloride?
The CAS number of 3,5-Di-tert-butyl-4-hydroxybenzoyl chloride is 40056-43-7.
What is the molecular formula of 3,5-Di-tert-butyl-4-hydroxybenzoyl chloride?
The molecular formula of 3,5-Di-tert-butyl-4-hydroxybenzoyl chloride is C15H21ClO2.
What is the molecular weight of 3,5-Di-tert-butyl-4-hydroxybenzoyl chloride?
The molecular weight of 3,5-Di-tert-butyl-4-hydroxybenzoyl chloride is 268.12 g/mol.
Where can I buy 3,5-Di-tert-butyl-4-hydroxybenzoyl chloride?
You can request a quote for 3,5-Di-tert-butyl-4-hydroxybenzoyl chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Di-tert-butyl-4-hydroxybenzoyl chloride?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Di-tert-butyl-4-hydroxybenzoyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.