2-Chloro-3-(3,5-DI-tert-butyl-4-hydroxy-phenyl)-(1,4)naphthoquinone
TL;DR: 2-Chloro-3-(3,5-DI-tert-butyl-4-hydroxy-phenyl)-(1,4)naphthoquinone (CAS 135979-40-7) is a chemical compound with molecular formula C24H25ClO3 and molecular weight 396.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-3-(3,5-ditert-butyl-4-hydroxyphenyl)naphthalene-1,4-dione
Also Known As: BIM-0020361.P001, 2-chloro-3-(3,5-ditert-butyl-4-hydroxyphenyl)naphthoquinone, 2-chloro-3-(3,5-di-tert-butyl-4-hydroxyphenyl)naph, F1094-0010, 2-chloro-3-(3,5-di-tert-butyl-4-hydroxyphenyl)naphthalene-1,4-dione
| Molecular Formula | C24H25ClO3 |
|---|---|
| Molecular Weight | 396.15 g/mol |
| LogP | 6.0163 |
| Topological Polar Surface Area | 54.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 396.14923 |
| Heavy Atoms | 28 |
| Complexity | 995.5414 |
Chemical Identifiers
| CAS Number | 135979-40-7 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C2=C(C(=O)C3=CC=CC=C3C2=O)Cl |
Product Overview
2-Chloro-3-(3,5-DI-tert-butyl-4-hydroxy-phenyl)-(1,4)naphthoquinone (CAS 135979-40-7), with molecular formula C24H25ClO3 and molecular weight 396.15 g/mol. IUPAC: 2-chloro-3-(3,5-ditert-butyl-4-hydroxyphenyl)naphthalene-1,4-dione.
Chemical Property Profile of 2-Chloro-3-(3,5-DI-tert-butyl-4-hydroxy-phenyl)-(1,4)naphthoquinone
Property Insights of 2-Chloro-3-(3,5-DI-tert-butyl-4-hydroxy-phenyl)-(1,4)naphthoquinone
The XLogP value of 6.0163 indicates that 2-Chloro-3-(3,5-DI-tert-butyl-4-hydroxy-phenyl)-(1,4)naphthoquinone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.37 Ų, 2-Chloro-3-(3,5-DI-tert-butyl-4-hydroxy-phenyl)-(1,4)naphthoquinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-3-(3,5-DI-tert-butyl-4-hydroxy-phenyl)-(1,4)naphthoquinone has 1 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 2-Chloro-3-(3,5-DI-tert-butyl-4-hydroxy-phenyl)-(1,4)naphthoquinone?
The CAS number of 2-Chloro-3-(3,5-DI-tert-butyl-4-hydroxy-phenyl)-(1,4)naphthoquinone is 135979-40-7.
What is the molecular formula of 2-Chloro-3-(3,5-DI-tert-butyl-4-hydroxy-phenyl)-(1,4)naphthoquinone?
The molecular formula of 2-Chloro-3-(3,5-DI-tert-butyl-4-hydroxy-phenyl)-(1,4)naphthoquinone is C24H25ClO3.
What is the molecular weight of 2-Chloro-3-(3,5-DI-tert-butyl-4-hydroxy-phenyl)-(1,4)naphthoquinone?
The molecular weight of 2-Chloro-3-(3,5-DI-tert-butyl-4-hydroxy-phenyl)-(1,4)naphthoquinone is 396.15 g/mol.
Where can I buy 2-Chloro-3-(3,5-DI-tert-butyl-4-hydroxy-phenyl)-(1,4)naphthoquinone?
You can request a quote for 2-Chloro-3-(3,5-DI-tert-butyl-4-hydroxy-phenyl)-(1,4)naphthoquinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-3-(3,5-DI-tert-butyl-4-hydroxy-phenyl)-(1,4)naphthoquinone?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-3-(3,5-DI-tert-butyl-4-hydroxy-phenyl)-(1,4)naphthoquinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.