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4H-Naphtho[1,2-b]pyran-4-one, 3-acetyl-2-methyl-
TL;DR: 4H-Naphtho[1,2-b]pyran-4-one, 3-acetyl-2-methyl- (CAS 69796-59-4) is a chemical compound with molecular formula C16H12O3 and molecular weight 252.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-acetyl-2-methylbenzo[h]chromen-4-one
Also Known As: 3-acetyl-2-methylbenzo[h]chromen-4-one, 2-Methyl-3-acetyl[7,8]benzochromone, 3-Acetyl-2-methyl-4H-benzo[h]chromen-4-one, 2-Methyl-3-acetyl-4H-naphtho[1,2-b]pyran-4-one, 4H-Naphtho[1,2-b]pyran-4-one, 3-acetyl-2-methyl-
| Molecular Formula | C16H12O3 |
|---|---|
| Molecular Weight | 252.08 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 252.07864 |
| Heavy Atoms | 19 |
| Complexity | 449.0 |
Chemical Identifiers
| CAS Number | 69796-59-4 |
|---|---|
| SMILES | CC1=C(C(=O)C2=C(O1)C3=CC=CC=C3C=C2)C(=O)C |
| InChIKey | XMJJVPKEAYWZAP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4H-Naphtho[1,2-b]pyran-4-one, 3-acetyl-2-methyl- (CAS 69796-59-4), with molecular formula C16H12O3 and molecular weight 252.08 g/mol. IUPAC: 3-acetyl-2-methylbenzo[h]chromen-4-one.
Chemical Property Profile of 4H-Naphtho[1,2-b]pyran-4-one, 3-acetyl-2-methyl-
Property Insights of 4H-Naphtho[1,2-b]pyran-4-one, 3-acetyl-2-methyl-
The XLogP value of 3.1 indicates that 4H-Naphtho[1,2-b]pyran-4-one, 3-acetyl-2-methyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.4 Ų, 4H-Naphtho[1,2-b]pyran-4-one, 3-acetyl-2-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4H-Naphtho[1,2-b]pyran-4-one, 3-acetyl-2-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 4H-Naphtho[1,2-b]pyran-4-one, 3-acetyl-2-methyl-?
The CAS number of 4H-Naphtho[1,2-b]pyran-4-one, 3-acetyl-2-methyl- is 69796-59-4.
What is the molecular formula of 4H-Naphtho[1,2-b]pyran-4-one, 3-acetyl-2-methyl-?
The molecular formula of 4H-Naphtho[1,2-b]pyran-4-one, 3-acetyl-2-methyl- is C16H12O3.
What is the molecular weight of 4H-Naphtho[1,2-b]pyran-4-one, 3-acetyl-2-methyl-?
The molecular weight of 4H-Naphtho[1,2-b]pyran-4-one, 3-acetyl-2-methyl- is 252.08 g/mol.
Where can I buy 4H-Naphtho[1,2-b]pyran-4-one, 3-acetyl-2-methyl-?
You can request a quote for 4H-Naphtho[1,2-b]pyran-4-one, 3-acetyl-2-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4H-Naphtho[1,2-b]pyran-4-one, 3-acetyl-2-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 4H-Naphtho[1,2-b]pyran-4-one, 3-acetyl-2-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.