InChI=1/C6H5ClO2/c1-4-2-5(7)9-6(8)3-4/h2-3H,1H
TL;DR: InChI=1/C6H5ClO2/c1-4-2-5(7)9-6(8)3-4/h2-3H,1H (CAS 22682-15-1) is a chemical compound with molecular formula C6H5ClO2 and molecular weight 144.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chloro-4-methylpyran-2-one
Also Known As: 6-chloro-4-methylpyran-2-one, 6-chloro-4-methyl-pyran-2-one, 2H-Pyran-2-one, 6-chloro-4-methyl-, InChI=1/C6H5ClO2/c1-4-2-5(7)9-6(8)3-4/h2-3H,1H
| Molecular Formula | C6H5ClO2 |
|---|---|
| Molecular Weight | 144.00 g/mol |
| LogP | 1.60162 |
| Topological Polar Surface Area | 30.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 143.9978 |
| Heavy Atoms | 9 |
| Complexity | 240.75552 |
Chemical Identifiers
| CAS Number | 22682-15-1 |
|---|---|
| SMILES | CC1=CC(=O)OC(=C1)Cl |
Product Overview
InChI=1/C6H5ClO2/c1-4-2-5(7)9-6(8)3-4/h2-3H,1H (CAS 22682-15-1), with molecular formula C6H5ClO2 and molecular weight 144.00 g/mol. IUPAC: 6-chloro-4-methylpyran-2-one.
Chemical Property Profile of InChI=1/C6H5ClO2/c1-4-2-5(7)9-6(8)3-4/h2-3H,1H
Property Insights of InChI=1/C6H5ClO2/c1-4-2-5(7)9-6(8)3-4/h2-3H,1H
The XLogP value of 1.60162 suggests moderate lipophilicity, balancing water solubility and membrane permeability for InChI=1/C6H5ClO2/c1-4-2-5(7)9-6(8)3-4/h2-3H,1H. With a topological polar surface area (TPSA) of 30.21 Ų, InChI=1/C6H5ClO2/c1-4-2-5(7)9-6(8)3-4/h2-3H,1H exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, InChI=1/C6H5ClO2/c1-4-2-5(7)9-6(8)3-4/h2-3H,1H 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 InChI=1/C6H5ClO2/c1-4-2-5(7)9-6(8)3-4/h2-3H,1H?
The CAS number of InChI=1/C6H5ClO2/c1-4-2-5(7)9-6(8)3-4/h2-3H,1H is 22682-15-1.
What is the molecular formula of InChI=1/C6H5ClO2/c1-4-2-5(7)9-6(8)3-4/h2-3H,1H?
The molecular formula of InChI=1/C6H5ClO2/c1-4-2-5(7)9-6(8)3-4/h2-3H,1H is C6H5ClO2.
What is the molecular weight of InChI=1/C6H5ClO2/c1-4-2-5(7)9-6(8)3-4/h2-3H,1H?
The molecular weight of InChI=1/C6H5ClO2/c1-4-2-5(7)9-6(8)3-4/h2-3H,1H is 144.00 g/mol.
Where can I buy InChI=1/C6H5ClO2/c1-4-2-5(7)9-6(8)3-4/h2-3H,1H?
You can request a quote for InChI=1/C6H5ClO2/c1-4-2-5(7)9-6(8)3-4/h2-3H,1H directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for InChI=1/C6H5ClO2/c1-4-2-5(7)9-6(8)3-4/h2-3H,1H?
Yes, KEHONG BIO provides custom synthesis services for InChI=1/C6H5ClO2/c1-4-2-5(7)9-6(8)3-4/h2-3H,1H and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.