1-Bromo-4,4-dichloro-2-(3,5-dimethylphenyl)pentan-2-ol
TL;DR: 1-Bromo-4,4-dichloro-2-(3,5-dimethylphenyl)pentan-2-ol (CAS 60276-60-0) is a chemical compound with molecular formula C13H17BrCl2O and molecular weight 337.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-bromo-4,4-dichloro-2-(3,5-dimethylphenyl)pentan-2-ol
Also Known As: 1-bromo-4,4-dichloro-2-(3,5-dimethylphenyl)pentan-2-ol
| Molecular Formula | C13H17BrCl2O |
|---|---|
| Molecular Weight | 337.98 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 337.98398 |
| Heavy Atoms | 17 |
| Complexity | 250.0 |
Chemical Identifiers
| CAS Number | 60276-60-0 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)C(CC(C)(Cl)Cl)(CBr)O)C |
| InChIKey | YLZGHFWFGJDCNE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Bromo-4,4-dichloro-2-(3,5-dimethylphenyl)pentan-2-ol (CAS 60276-60-0), with molecular formula C13H17BrCl2O and molecular weight 337.98 g/mol. IUPAC: 1-bromo-4,4-dichloro-2-(3,5-dimethylphenyl)pentan-2-ol.
Chemical Property Profile of 1-Bromo-4,4-dichloro-2-(3,5-dimethylphenyl)pentan-2-ol
Property Insights of 1-Bromo-4,4-dichloro-2-(3,5-dimethylphenyl)pentan-2-ol
The XLogP value of 4.3 indicates that 1-Bromo-4,4-dichloro-2-(3,5-dimethylphenyl)pentan-2-ol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, 1-Bromo-4,4-dichloro-2-(3,5-dimethylphenyl)pentan-2-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Bromo-4,4-dichloro-2-(3,5-dimethylphenyl)pentan-2-ol has 1 hydrogen bond donor(s) and 1 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 1-Bromo-4,4-dichloro-2-(3,5-dimethylphenyl)pentan-2-ol?
The CAS number of 1-Bromo-4,4-dichloro-2-(3,5-dimethylphenyl)pentan-2-ol is 60276-60-0.
What is the molecular formula of 1-Bromo-4,4-dichloro-2-(3,5-dimethylphenyl)pentan-2-ol?
The molecular formula of 1-Bromo-4,4-dichloro-2-(3,5-dimethylphenyl)pentan-2-ol is C13H17BrCl2O.
What is the molecular weight of 1-Bromo-4,4-dichloro-2-(3,5-dimethylphenyl)pentan-2-ol?
The molecular weight of 1-Bromo-4,4-dichloro-2-(3,5-dimethylphenyl)pentan-2-ol is 337.98 g/mol.
Where can I buy 1-Bromo-4,4-dichloro-2-(3,5-dimethylphenyl)pentan-2-ol?
You can request a quote for 1-Bromo-4,4-dichloro-2-(3,5-dimethylphenyl)pentan-2-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Bromo-4,4-dichloro-2-(3,5-dimethylphenyl)pentan-2-ol?
Yes, KEHONG BIO provides custom synthesis services for 1-Bromo-4,4-dichloro-2-(3,5-dimethylphenyl)pentan-2-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.