7-(benzyloxy)-6-chloro-4-methyl-2H-chromen-2-one
TL;DR: 7-(benzyloxy)-6-chloro-4-methyl-2H-chromen-2-one (CAS 304880-89-5) is a chemical compound with molecular formula C17H13ClO3 and molecular weight 300.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chloro-4-methyl-7-phenylmethoxychromen-2-one
Also Known As: 7-(benzyloxy)-6-chloro-4-methyl-2H-chromen-2-one, 6-chloro-4-methyl-7-phenylmethoxychromen-2-one, BAS 00872279, 7-Benzyloxy-6-chloro-4-methyl-chromen-2-one, F0398-0087
| Molecular Formula | C17H13ClO3 |
|---|---|
| Molecular Weight | 300.06 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 300.05533 |
| Heavy Atoms | 21 |
| Complexity | 414.0 |
Chemical Identifiers
| CAS Number | 304880-89-5 |
|---|---|
| SMILES | CC1=CC(=O)OC2=CC(=C(C=C12)Cl)OCC3=CC=CC=C3 |
| InChIKey | NZTULLANRUVUNR-UHFFFAOYSA-N |
Product Overview
7-(benzyloxy)-6-chloro-4-methyl-2H-chromen-2-one (CAS 304880-89-5), with molecular formula C17H13ClO3 and molecular weight 300.06 g/mol. IUPAC: 6-chloro-4-methyl-7-phenylmethoxychromen-2-one.
Chemical Property Profile of 7-(benzyloxy)-6-chloro-4-methyl-2H-chromen-2-one
Property Insights of 7-(benzyloxy)-6-chloro-4-methyl-2H-chromen-2-one
The XLogP value of 3.9 indicates that 7-(benzyloxy)-6-chloro-4-methyl-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 35.5 Ų, 7-(benzyloxy)-6-chloro-4-methyl-2H-chromen-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-(benzyloxy)-6-chloro-4-methyl-2H-chromen-2-one has 0 hydrogen bond donor(s) and 3 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 7-(benzyloxy)-6-chloro-4-methyl-2H-chromen-2-one?
The CAS number of 7-(benzyloxy)-6-chloro-4-methyl-2H-chromen-2-one is 304880-89-5.
What is the molecular formula of 7-(benzyloxy)-6-chloro-4-methyl-2H-chromen-2-one?
The molecular formula of 7-(benzyloxy)-6-chloro-4-methyl-2H-chromen-2-one is C17H13ClO3.
What is the molecular weight of 7-(benzyloxy)-6-chloro-4-methyl-2H-chromen-2-one?
The molecular weight of 7-(benzyloxy)-6-chloro-4-methyl-2H-chromen-2-one is 300.06 g/mol.
Where can I buy 7-(benzyloxy)-6-chloro-4-methyl-2H-chromen-2-one?
You can request a quote for 7-(benzyloxy)-6-chloro-4-methyl-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 7-(benzyloxy)-6-chloro-4-methyl-2H-chromen-2-one?
Yes, KEHONG BIO provides custom synthesis services for 7-(benzyloxy)-6-chloro-4-methyl-2H-chromen-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.