Methyl 2-(naphthalene-1-carbonyl)-3-oxobutanoate
TL;DR: Methyl 2-(naphthalene-1-carbonyl)-3-oxobutanoate (CAS 676348-51-9) is a chemical compound with molecular formula C16H14O4 and molecular weight 270.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(naphthalene-1-carbonyl)-3-oxobutanoate
Also Known As: 2-(NAPHTHALENE-1-CARBONYL)-3-OXO-BUTYRIC ACID METHYL ESTER, methyl 2-(naphthalene-1-carbonyl)-3-oxobutanoate, Methyl 2-(naphthalene-1-carbonyl)-3-oxo-butanoate, Methyl I+/--acetyl-I(2)-oxo-1-naphthalenepropanoate
| Molecular Formula | C16H14O4 |
|---|---|
| Molecular Weight | 270.09 g/mol |
| LogP | 2.4007 |
| Topological Polar Surface Area | 60.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 270.0892 |
| Heavy Atoms | 20 |
| Complexity | 682.4413 |
Chemical Identifiers
| CAS Number | 676348-51-9 |
|---|---|
| SMILES | CC(=O)C(C(=O)C1=CC=CC2=CC=CC=C21)C(=O)OC |
Product Overview
Methyl 2-(naphthalene-1-carbonyl)-3-oxobutanoate (CAS 676348-51-9), with molecular formula C16H14O4 and molecular weight 270.09 g/mol. IUPAC: methyl 2-(naphthalene-1-carbonyl)-3-oxobutanoate.
Chemical Property Profile of Methyl 2-(naphthalene-1-carbonyl)-3-oxobutanoate
Property Insights of Methyl 2-(naphthalene-1-carbonyl)-3-oxobutanoate
The XLogP value of 2.4007 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-(naphthalene-1-carbonyl)-3-oxobutanoate. The TPSA of 60.44 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-(naphthalene-1-carbonyl)-3-oxobutanoate. Following Lipinski's Rule of Five, Methyl 2-(naphthalene-1-carbonyl)-3-oxobutanoate 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 Methyl 2-(naphthalene-1-carbonyl)-3-oxobutanoate?
The CAS number of Methyl 2-(naphthalene-1-carbonyl)-3-oxobutanoate is 676348-51-9.
What is the molecular formula of Methyl 2-(naphthalene-1-carbonyl)-3-oxobutanoate?
The molecular formula of Methyl 2-(naphthalene-1-carbonyl)-3-oxobutanoate is C16H14O4.
What is the molecular weight of Methyl 2-(naphthalene-1-carbonyl)-3-oxobutanoate?
The molecular weight of Methyl 2-(naphthalene-1-carbonyl)-3-oxobutanoate is 270.09 g/mol.
Where can I buy Methyl 2-(naphthalene-1-carbonyl)-3-oxobutanoate?
You can request a quote for Methyl 2-(naphthalene-1-carbonyl)-3-oxobutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-(naphthalene-1-carbonyl)-3-oxobutanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-(naphthalene-1-carbonyl)-3-oxobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.