6-Chloro-chroman-2-one
TL;DR: 6-Chloro-chroman-2-one (CAS 4479-98-5) is a chemical compound with molecular formula C9H7ClO2 and molecular weight 182.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chloro-3,4-dihydrochromen-2-one
Also Known As: 6-Chloro-chroman-2-one, 6-chlorochromanone, 6-Chloro-2-chromanone, 6-Chlorochroman-2-one, 6-chloro-3,4-dihydrochromen-2-one
| Molecular Formula | C9H7ClO2 |
|---|---|
| Molecular Weight | 182.01 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 182.01346 |
| Heavy Atoms | 12 |
| Complexity | 193.0 |
Chemical Identifiers
| CAS Number | 4479-98-5 |
|---|---|
| SMILES | C1CC(=O)OC2=C1C=C(C=C2)Cl |
| InChIKey | KKMNLXQACWRZHQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-Chloro-chroman-2-one (CAS 4479-98-5), with molecular formula C9H7ClO2 and molecular weight 182.01 g/mol. IUPAC: 6-chloro-3,4-dihydrochromen-2-one.
Chemical Property Profile of 6-Chloro-chroman-2-one
Property Insights of 6-Chloro-chroman-2-one
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Chloro-chroman-2-one. With a topological polar surface area (TPSA) of 26.3 Ų, 6-Chloro-chroman-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Chloro-chroman-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-Chloro-chroman-2-one?
The CAS number of 6-Chloro-chroman-2-one is 4479-98-5.
What is the molecular formula of 6-Chloro-chroman-2-one?
The molecular formula of 6-Chloro-chroman-2-one is C9H7ClO2.
What is the molecular weight of 6-Chloro-chroman-2-one?
The molecular weight of 6-Chloro-chroman-2-one is 182.01 g/mol.
Where can I buy 6-Chloro-chroman-2-one?
You can request a quote for 6-Chloro-chroman-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-chroman-2-one?
Yes, KEHONG BIO provides custom synthesis services for 6-Chloro-chroman-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.