Coumarin, 3-acetyl-7-methyl-
TL;DR: Coumarin, 3-acetyl-7-methyl- (CAS 20280-93-7) is a chemical compound with molecular formula C12H10O3 and molecular weight 202.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-acetyl-7-methylchromen-2-one
Also Known As: 3-acetyl-7-methyl-2H-chromen-2-one, 3-Acetyl-7-methylcoumarin, 3-acetyl-7-methylchromen-2-one, COUMARIN, 3-ACETYL-7-METHYL-, 2-DEOXY-2-FLUOROADENOSINE
| Molecular Formula | C12H10O3 |
|---|---|
| Molecular Weight | 202.06 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 202.06299 |
| Heavy Atoms | 15 |
| Complexity | 330.0 |
Chemical Identifiers
| CAS Number | 20280-93-7 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)C=C(C(=O)O2)C(=O)C |
| InChIKey | UBRNWFAJPPGJGV-UHFFFAOYSA-N |
Product Overview
Coumarin, 3-acetyl-7-methyl- (CAS 20280-93-7), with molecular formula C12H10O3 and molecular weight 202.06 g/mol. IUPAC: 3-acetyl-7-methylchromen-2-one.
Chemical Property Profile of Coumarin, 3-acetyl-7-methyl-
Property Insights of Coumarin, 3-acetyl-7-methyl-
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Coumarin, 3-acetyl-7-methyl-. With a topological polar surface area (TPSA) of 43.4 Ų, Coumarin, 3-acetyl-7-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Coumarin, 3-acetyl-7-methyl- 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 Coumarin, 3-acetyl-7-methyl-?
The CAS number of Coumarin, 3-acetyl-7-methyl- is 20280-93-7.
What is the molecular formula of Coumarin, 3-acetyl-7-methyl-?
The molecular formula of Coumarin, 3-acetyl-7-methyl- is C12H10O3.
What is the molecular weight of Coumarin, 3-acetyl-7-methyl-?
The molecular weight of Coumarin, 3-acetyl-7-methyl- is 202.06 g/mol.
Where can I buy Coumarin, 3-acetyl-7-methyl-?
You can request a quote for Coumarin, 3-acetyl-7-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Coumarin, 3-acetyl-7-methyl-?
Yes, KEHONG BIO provides custom synthesis services for Coumarin, 3-acetyl-7-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.