3-Bromo-2-chromenone
TL;DR: 3-Bromo-2-chromenone (CAS 939-18-4) is a chemical compound with molecular formula C9H5BrO2 and molecular weight 223.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromochromen-2-one
Also Known As: 3-Bromo-2-chromenone, 3-bromo-2H-chromen-2-one, 3-bromochromen-2-one, 3-bromocoumarin, 2H-1-Benzopyran-2-one, 3-bromo-
| Molecular Formula | C9H5BrO2 |
|---|---|
| Molecular Weight | 223.95 g/mol |
| LogP | 2.5555 |
| Topological Polar Surface Area | 30.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 223.9473 |
| Heavy Atoms | 12 |
| Complexity | 473.15738 |
Chemical Identifiers
| CAS Number | 939-18-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=C(C(=O)O2)Br |
Product Overview
3-Bromo-2-chromenone (CAS 939-18-4), with molecular formula C9H5BrO2 and molecular weight 223.95 g/mol. IUPAC: 3-bromochromen-2-one.
Chemical Property Profile of 3-Bromo-2-chromenone
Property Insights of 3-Bromo-2-chromenone
The XLogP value of 2.5555 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Bromo-2-chromenone. With a topological polar surface area (TPSA) of 30.21 Ų, 3-Bromo-2-chromenone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Bromo-2-chromenone 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 3-Bromo-2-chromenone?
The CAS number of 3-Bromo-2-chromenone is 939-18-4.
What is the molecular formula of 3-Bromo-2-chromenone?
The molecular formula of 3-Bromo-2-chromenone is C9H5BrO2.
What is the molecular weight of 3-Bromo-2-chromenone?
The molecular weight of 3-Bromo-2-chromenone is 223.95 g/mol.
Where can I buy 3-Bromo-2-chromenone?
You can request a quote for 3-Bromo-2-chromenone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Bromo-2-chromenone?
Yes, KEHONG BIO provides custom synthesis services for 3-Bromo-2-chromenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.