6-tert-butyl-4-(chloromethyl)-2H-chromen-2-one
TL;DR: 6-tert-butyl-4-(chloromethyl)-2H-chromen-2-one (CAS 41295-61-8) is a chemical compound with molecular formula C14H15ClO2 and molecular weight 250.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-tert-butyl-4-(chloromethyl)chromen-2-one
Also Known As: 6-tert-butyl-4-(chloromethyl)-2H-chromen-2-one, 6-tert-butyl-4-(chloromethyl)chromen-2-one, 6-(tert-butyl)-4-(chloromethyl)-2H-chromen-2-one, 6-(tert-butyl)-4-(chloromethyl)chromen-2-one, L-5327
| Molecular Formula | C14H15ClO2 |
|---|---|
| Molecular Weight | 250.08 g/mol |
| LogP | 3.8293 |
| Topological Polar Surface Area | 30.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 250.07605 |
| Heavy Atoms | 17 |
| Complexity | 605.6288 |
Chemical Identifiers
| CAS Number | 41295-61-8 |
|---|---|
| SMILES | CC(C)(C)C1=CC2=C(C=C1)OC(=O)C=C2CCl |
Product Overview
6-tert-butyl-4-(chloromethyl)-2H-chromen-2-one (CAS 41295-61-8), with molecular formula C14H15ClO2 and molecular weight 250.08 g/mol. IUPAC: 6-tert-butyl-4-(chloromethyl)chromen-2-one.
Chemical Property Profile of 6-tert-butyl-4-(chloromethyl)-2H-chromen-2-one
Property Insights of 6-tert-butyl-4-(chloromethyl)-2H-chromen-2-one
The XLogP value of 3.8293 indicates that 6-tert-butyl-4-(chloromethyl)-2H-chromen-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.21 Ų, 6-tert-butyl-4-(chloromethyl)-2H-chromen-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-tert-butyl-4-(chloromethyl)-2H-chromen-2-one has 0 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 6-tert-butyl-4-(chloromethyl)-2H-chromen-2-one?
The CAS number of 6-tert-butyl-4-(chloromethyl)-2H-chromen-2-one is 41295-61-8.
What is the molecular formula of 6-tert-butyl-4-(chloromethyl)-2H-chromen-2-one?
The molecular formula of 6-tert-butyl-4-(chloromethyl)-2H-chromen-2-one is C14H15ClO2.
What is the molecular weight of 6-tert-butyl-4-(chloromethyl)-2H-chromen-2-one?
The molecular weight of 6-tert-butyl-4-(chloromethyl)-2H-chromen-2-one is 250.08 g/mol.
Where can I buy 6-tert-butyl-4-(chloromethyl)-2H-chromen-2-one?
You can request a quote for 6-tert-butyl-4-(chloromethyl)-2H-chromen-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-tert-butyl-4-(chloromethyl)-2H-chromen-2-one?
Yes, KEHONG BIO provides custom synthesis services for 6-tert-butyl-4-(chloromethyl)-2H-chromen-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.