6-chloro-7-(3,3-dimethyl-2-oxobutoxy)-4-phenyl-2H-chromen-2-one
TL;DR: 6-chloro-7-(3,3-dimethyl-2-oxobutoxy)-4-phenyl-2H-chromen-2-one (CAS 335418-87-6) is a chemical compound with molecular formula C21H19ClO4 and molecular weight 370.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chloro-7-(3,3-dimethyl-2-oxobutoxy)-4-phenylchromen-2-one
Also Known As: MixCom6_001474, EiM07-13190, BAS 02236075, 6-chloro-7-(3,3-dimethyl-2-oxobutoxy)-4-phenyl-2H-chromen-2-one, BIM-0031188.P001
| Molecular Formula | C21H19ClO4 |
|---|---|
| Molecular Weight | 370.10 g/mol |
| LogP | 5.1074 |
| Topological Polar Surface Area | 56.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 370.0972 |
| Heavy Atoms | 26 |
| Complexity | 1013.8459 |
Chemical Identifiers
| CAS Number | 335418-87-6 |
|---|---|
| SMILES | CC(C)(C)C(=O)COC1=C(C=C2C(=CC(=O)OC2=C1)C3=CC=CC=C3)Cl |
Product Overview
6-chloro-7-(3,3-dimethyl-2-oxobutoxy)-4-phenyl-2H-chromen-2-one (CAS 335418-87-6), with molecular formula C21H19ClO4 and molecular weight 370.10 g/mol. IUPAC: 6-chloro-7-(3,3-dimethyl-2-oxobutoxy)-4-phenylchromen-2-one.
Chemical Property Profile of 6-chloro-7-(3,3-dimethyl-2-oxobutoxy)-4-phenyl-2H-chromen-2-one
Property Insights of 6-chloro-7-(3,3-dimethyl-2-oxobutoxy)-4-phenyl-2H-chromen-2-one
The XLogP value of 5.1074 indicates that 6-chloro-7-(3,3-dimethyl-2-oxobutoxy)-4-phenyl-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 56.51 Ų, 6-chloro-7-(3,3-dimethyl-2-oxobutoxy)-4-phenyl-2H-chromen-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-chloro-7-(3,3-dimethyl-2-oxobutoxy)-4-phenyl-2H-chromen-2-one has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 6-chloro-7-(3,3-dimethyl-2-oxobutoxy)-4-phenyl-2H-chromen-2-one?
The CAS number of 6-chloro-7-(3,3-dimethyl-2-oxobutoxy)-4-phenyl-2H-chromen-2-one is 335418-87-6.
What is the molecular formula of 6-chloro-7-(3,3-dimethyl-2-oxobutoxy)-4-phenyl-2H-chromen-2-one?
The molecular formula of 6-chloro-7-(3,3-dimethyl-2-oxobutoxy)-4-phenyl-2H-chromen-2-one is C21H19ClO4.
What is the molecular weight of 6-chloro-7-(3,3-dimethyl-2-oxobutoxy)-4-phenyl-2H-chromen-2-one?
The molecular weight of 6-chloro-7-(3,3-dimethyl-2-oxobutoxy)-4-phenyl-2H-chromen-2-one is 370.10 g/mol.
Where can I buy 6-chloro-7-(3,3-dimethyl-2-oxobutoxy)-4-phenyl-2H-chromen-2-one?
You can request a quote for 6-chloro-7-(3,3-dimethyl-2-oxobutoxy)-4-phenyl-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-chloro-7-(3,3-dimethyl-2-oxobutoxy)-4-phenyl-2H-chromen-2-one?
Yes, KEHONG BIO provides custom synthesis services for 6-chloro-7-(3,3-dimethyl-2-oxobutoxy)-4-phenyl-2H-chromen-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.