3-(Bromoacetyl)coumarin
TL;DR: 3-(Bromoacetyl)coumarin (CAS 29311-68-0) is a chemical compound with molecular formula C11H7BrO3 and molecular weight 265.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-bromoacetyl)chromen-2-one
Also Known As: 3-(Bromoacetyl)coumarin, 3-(2-bromoacetyl)-2H-chromen-2-one, coumarin, 3-(2-bromoacetyl)chromen-2-one, 3-Bromoacetylcoumarin
| Molecular Formula | C11H7BrO3 |
|---|---|
| Molecular Weight | 265.96 g/mol |
| LogP | 2.3706 |
| Topological Polar Surface Area | 47.28 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 265.95786 |
| Heavy Atoms | 15 |
| Complexity | 571.2999 |
Chemical Identifiers
| CAS Number | 29311-68-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=C(C(=O)O2)C(=O)CBr |
Product Overview
3-(Bromoacetyl)coumarin (CAS 29311-68-0), with molecular formula C11H7BrO3 and molecular weight 265.96 g/mol. IUPAC: 3-(2-bromoacetyl)chromen-2-one.
Chemical Property Profile of 3-(Bromoacetyl)coumarin
Property Insights of 3-(Bromoacetyl)coumarin
The XLogP value of 2.3706 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Bromoacetyl)coumarin. With a topological polar surface area (TPSA) of 47.28 Ų, 3-(Bromoacetyl)coumarin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Bromoacetyl)coumarin 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 3-(Bromoacetyl)coumarin?
The CAS number of 3-(Bromoacetyl)coumarin is 29311-68-0.
What is the molecular formula of 3-(Bromoacetyl)coumarin?
The molecular formula of 3-(Bromoacetyl)coumarin is C11H7BrO3.
What is the molecular weight of 3-(Bromoacetyl)coumarin?
The molecular weight of 3-(Bromoacetyl)coumarin is 265.96 g/mol.
Where can I buy 3-(Bromoacetyl)coumarin?
You can request a quote for 3-(Bromoacetyl)coumarin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Bromoacetyl)coumarin?
Yes, KEHONG BIO provides custom synthesis services for 3-(Bromoacetyl)coumarin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.