2H-1-Benzopyran-2-one, 7-(3-chloropropoxy)-
TL;DR: 2H-1-Benzopyran-2-one, 7-(3-chloropropoxy)- (CAS 90818-63-6) is a chemical compound with molecular formula C12H11ClO3 and molecular weight 238.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(3-chloropropoxy)chromen-2-one
Also Known As: Coumarin, 7-(3-chloropropoxy)-, 2H-1-Benzopyran-2-one, 7-(3-chloropropoxy)-, 7-(3-chloropropoxy)coumarin, 7-(3-Chloropropoxy)-2H-1-benzopyran-2-one, 7-(3'-chloropropoxy)coumarin
| Molecular Formula | C12H11ClO3 |
|---|---|
| Molecular Weight | 238.04 g/mol |
| LogP | 2.8007 |
| Topological Polar Surface Area | 39.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 238.03967 |
| Heavy Atoms | 16 |
| Complexity | 533.0201 |
Chemical Identifiers
| CAS Number | 90818-63-6 |
|---|---|
| SMILES | C1=CC(=CC2=C1C=CC(=O)O2)OCCCCl |
Product Overview
2H-1-Benzopyran-2-one, 7-(3-chloropropoxy)- (CAS 90818-63-6), with molecular formula C12H11ClO3 and molecular weight 238.04 g/mol. IUPAC: 7-(3-chloropropoxy)chromen-2-one.
Chemical Property Profile of 2H-1-Benzopyran-2-one, 7-(3-chloropropoxy)-
Property Insights of 2H-1-Benzopyran-2-one, 7-(3-chloropropoxy)-
The XLogP value of 2.8007 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2H-1-Benzopyran-2-one, 7-(3-chloropropoxy)-. With a topological polar surface area (TPSA) of 39.44 Ų, 2H-1-Benzopyran-2-one, 7-(3-chloropropoxy)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2H-1-Benzopyran-2-one, 7-(3-chloropropoxy)- 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 2H-1-Benzopyran-2-one, 7-(3-chloropropoxy)-?
The CAS number of 2H-1-Benzopyran-2-one, 7-(3-chloropropoxy)- is 90818-63-6.
What is the molecular formula of 2H-1-Benzopyran-2-one, 7-(3-chloropropoxy)-?
The molecular formula of 2H-1-Benzopyran-2-one, 7-(3-chloropropoxy)- is C12H11ClO3.
What is the molecular weight of 2H-1-Benzopyran-2-one, 7-(3-chloropropoxy)-?
The molecular weight of 2H-1-Benzopyran-2-one, 7-(3-chloropropoxy)- is 238.04 g/mol.
Where can I buy 2H-1-Benzopyran-2-one, 7-(3-chloropropoxy)-?
You can request a quote for 2H-1-Benzopyran-2-one, 7-(3-chloropropoxy)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2H-1-Benzopyran-2-one, 7-(3-chloropropoxy)-?
Yes, KEHONG BIO provides custom synthesis services for 2H-1-Benzopyran-2-one, 7-(3-chloropropoxy)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.