1,4-Dihydro-alpha,3-dimethyl-1,4-dioxo-2-naphthalenebutanoic acid
TL;DR: 1,4-Dihydro-alpha,3-dimethyl-1,4-dioxo-2-naphthalenebutanoic acid (CAS 34927-45-2) is a chemical compound with molecular formula C16H16O4 and molecular weight 272.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-4-(3-methyl-1,4-dioxonaphthalen-2-yl)butanoic acid
Also Known As: 5C-aglycone, Vitamin K1 aglycone II, Phylloquinone aglycone II, starbld0007661, 2-Methyl-3-(3'-carboxybutyl)-1,4-naphthoquinone
| Molecular Formula | C16H16O4 |
|---|---|
| Molecular Weight | 272.10 g/mol |
| LogP | 2.883 |
| Topological Polar Surface Area | 71.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 272.10486 |
| Heavy Atoms | 20 |
| Complexity | 625.11896 |
Chemical Identifiers
| CAS Number | 34927-45-2 |
|---|---|
| SMILES | CC1=C(C(=O)C2=CC=CC=C2C1=O)CCC(C)C(=O)O |
Product Overview
1,4-Dihydro-alpha,3-dimethyl-1,4-dioxo-2-naphthalenebutanoic acid (CAS 34927-45-2), with molecular formula C16H16O4 and molecular weight 272.10 g/mol. IUPAC: 2-methyl-4-(3-methyl-1,4-dioxonaphthalen-2-yl)butanoic acid.
Chemical Property Profile of 1,4-Dihydro-alpha,3-dimethyl-1,4-dioxo-2-naphthalenebutanoic acid
Property Insights of 1,4-Dihydro-alpha,3-dimethyl-1,4-dioxo-2-naphthalenebutanoic acid
The XLogP value of 2.883 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Dihydro-alpha,3-dimethyl-1,4-dioxo-2-naphthalenebutanoic acid. The TPSA of 71.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,4-Dihydro-alpha,3-dimethyl-1,4-dioxo-2-naphthalenebutanoic acid. Following Lipinski's Rule of Five, 1,4-Dihydro-alpha,3-dimethyl-1,4-dioxo-2-naphthalenebutanoic acid has 1 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 1,4-Dihydro-alpha,3-dimethyl-1,4-dioxo-2-naphthalenebutanoic acid?
The CAS number of 1,4-Dihydro-alpha,3-dimethyl-1,4-dioxo-2-naphthalenebutanoic acid is 34927-45-2.
What is the molecular formula of 1,4-Dihydro-alpha,3-dimethyl-1,4-dioxo-2-naphthalenebutanoic acid?
The molecular formula of 1,4-Dihydro-alpha,3-dimethyl-1,4-dioxo-2-naphthalenebutanoic acid is C16H16O4.
What is the molecular weight of 1,4-Dihydro-alpha,3-dimethyl-1,4-dioxo-2-naphthalenebutanoic acid?
The molecular weight of 1,4-Dihydro-alpha,3-dimethyl-1,4-dioxo-2-naphthalenebutanoic acid is 272.10 g/mol.
Where can I buy 1,4-Dihydro-alpha,3-dimethyl-1,4-dioxo-2-naphthalenebutanoic acid?
You can request a quote for 1,4-Dihydro-alpha,3-dimethyl-1,4-dioxo-2-naphthalenebutanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Dihydro-alpha,3-dimethyl-1,4-dioxo-2-naphthalenebutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Dihydro-alpha,3-dimethyl-1,4-dioxo-2-naphthalenebutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.