1,3-Butanedione, 1-(3,4-dimethoxy-2-naphthalenyl)-
TL;DR: 1,3-Butanedione, 1-(3,4-dimethoxy-2-naphthalenyl)- (CAS 55255-49-7) 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.
1-(3,4-dimethoxynaphthalen-2-yl)butane-1,3-dione
Also Known As: 1-(3,4-Dimethoxy-2-naphthalenyl)-1,3-butanedione, 1-(3,4-dimethoxynaphthalen-2-yl)butane-1,3-dione, 1,3-Butanedione, 1-(3,4-dimethoxy-2-naphthalenyl)-, 1-(3,4-Dimethoxy-2-naphthyl)-1,3-butanedione, 1-(3,4-Dimethoxy-2-naphthyl)-1,3-butanedione #
| Molecular Formula | C16H16O4 |
|---|---|
| Molecular Weight | 272.10 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 272.10486 |
| Heavy Atoms | 20 |
| Complexity | 365.0 |
Chemical Identifiers
| CAS Number | 55255-49-7 |
|---|---|
| SMILES | CC(=O)CC(=O)C1=CC2=CC=CC=C2C(=C1OC)OC |
| InChIKey | XXHOWHMLBCBMKN-UHFFFAOYSA-N |
Product Overview
1,3-Butanedione, 1-(3,4-dimethoxy-2-naphthalenyl)- (CAS 55255-49-7), with molecular formula C16H16O4 and molecular weight 272.10 g/mol. IUPAC: 1-(3,4-dimethoxynaphthalen-2-yl)butane-1,3-dione.
Chemical Property Profile of 1,3-Butanedione, 1-(3,4-dimethoxy-2-naphthalenyl)-
Property Insights of 1,3-Butanedione, 1-(3,4-dimethoxy-2-naphthalenyl)-
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Butanedione, 1-(3,4-dimethoxy-2-naphthalenyl)-. With a topological polar surface area (TPSA) of 52.6 Ų, 1,3-Butanedione, 1-(3,4-dimethoxy-2-naphthalenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Butanedione, 1-(3,4-dimethoxy-2-naphthalenyl)- 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 1,3-Butanedione, 1-(3,4-dimethoxy-2-naphthalenyl)-?
The CAS number of 1,3-Butanedione, 1-(3,4-dimethoxy-2-naphthalenyl)- is 55255-49-7.
What is the molecular formula of 1,3-Butanedione, 1-(3,4-dimethoxy-2-naphthalenyl)-?
The molecular formula of 1,3-Butanedione, 1-(3,4-dimethoxy-2-naphthalenyl)- is C16H16O4.
What is the molecular weight of 1,3-Butanedione, 1-(3,4-dimethoxy-2-naphthalenyl)-?
The molecular weight of 1,3-Butanedione, 1-(3,4-dimethoxy-2-naphthalenyl)- is 272.10 g/mol.
Where can I buy 1,3-Butanedione, 1-(3,4-dimethoxy-2-naphthalenyl)-?
You can request a quote for 1,3-Butanedione, 1-(3,4-dimethoxy-2-naphthalenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Butanedione, 1-(3,4-dimethoxy-2-naphthalenyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Butanedione, 1-(3,4-dimethoxy-2-naphthalenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.