Coumarin, 3-glyoxyloyl-
TL;DR: Coumarin, 3-glyoxyloyl- (CAS 91635-05-1) is a chemical compound with molecular formula C11H6O4 and molecular weight 202.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-oxo-2-(2-oxochromen-3-yl)acetaldehyde
Also Known As: 3-Glyoxyloylcoumarin, COUMARIN, 3-GLYOXYLOYL-, coumarinylglyoxal, 3-Glyoxylcoumaric aldehyde, starbld0027158
| Molecular Formula | C11H6O4 |
|---|---|
| Molecular Weight | 202.03 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 60.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 202.02661 |
| Heavy Atoms | 15 |
| Complexity | 342.0 |
Chemical Identifiers
| CAS Number | 91635-05-1 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=C(C(=O)O2)C(=O)C=O |
| InChIKey | HGVHQIKVXUMASV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Coumarin, 3-glyoxyloyl- (CAS 91635-05-1), with molecular formula C11H6O4 and molecular weight 202.03 g/mol. IUPAC: 2-oxo-2-(2-oxochromen-3-yl)acetaldehyde.
Chemical Property Profile of Coumarin, 3-glyoxyloyl-
Property Insights of Coumarin, 3-glyoxyloyl-
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Coumarin, 3-glyoxyloyl-. The TPSA of 60.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Coumarin, 3-glyoxyloyl-. Following Lipinski's Rule of Five, Coumarin, 3-glyoxyloyl- has 0 hydrogen bond donor(s) and 4 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 Coumarin, 3-glyoxyloyl-?
The CAS number of Coumarin, 3-glyoxyloyl- is 91635-05-1.
What is the molecular formula of Coumarin, 3-glyoxyloyl-?
The molecular formula of Coumarin, 3-glyoxyloyl- is C11H6O4.
What is the molecular weight of Coumarin, 3-glyoxyloyl-?
The molecular weight of Coumarin, 3-glyoxyloyl- is 202.03 g/mol.
Where can I buy Coumarin, 3-glyoxyloyl-?
You can request a quote for Coumarin, 3-glyoxyloyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Coumarin, 3-glyoxyloyl-?
Yes, KEHONG BIO provides custom synthesis services for Coumarin, 3-glyoxyloyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.