1,4-Bis(acetyloxy)-3-(dodecylsulfanyl)-2-naphthyl acetate
TL;DR: 1,4-Bis(acetyloxy)-3-(dodecylsulfanyl)-2-naphthyl acetate (CAS 41565-78-0) is a chemical compound with molecular formula C28H38O6S and molecular weight 502.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,4-diacetyloxy-3-dodecylsulfanylnaphthalen-1-yl) acetate
Also Known As: 1,4-bis -3-2-naphthylacetate, 1,4-Bis -3- -2-naphthylacetate, 1,4-Bis(acetyloxy)-3-(dodecylsulfanyl)-2-naphthyl acetate, 1,2,4-Triacetoxy-3-dodecylmercaptonaphthalene, (2,4-diacetyloxy-3-dodecylsulfanylnaphthalen-1-yl) acetate
| Molecular Formula | C28H38O6S |
|---|---|
| Molecular Weight | 502.24 g/mol |
| LogP | 8.5 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 18 |
| Exact Mass | 502.23892 |
| Heavy Atoms | 35 |
| Complexity | 653.0 |
Chemical Identifiers
| CAS Number | 41565-78-0 |
|---|---|
| SMILES | CCCCCCCCCCCCSC1=C(C2=CC=CC=C2C(=C1OC(=O)C)OC(=O)C)OC(=O)C |
| InChIKey | NENJPBSAVITEEW-UHFFFAOYSA-N |
Product Overview
1,4-Bis(acetyloxy)-3-(dodecylsulfanyl)-2-naphthyl acetate (CAS 41565-78-0), with molecular formula C28H38O6S and molecular weight 502.24 g/mol. IUPAC: (2,4-diacetyloxy-3-dodecylsulfanylnaphthalen-1-yl) acetate.
Chemical Property Profile of 1,4-Bis(acetyloxy)-3-(dodecylsulfanyl)-2-naphthyl acetate
Property Insights of 1,4-Bis(acetyloxy)-3-(dodecylsulfanyl)-2-naphthyl acetate
The XLogP value of 8.5 indicates that 1,4-Bis(acetyloxy)-3-(dodecylsulfanyl)-2-naphthyl acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,4-Bis(acetyloxy)-3-(dodecylsulfanyl)-2-naphthyl acetate. Following Lipinski's Rule of Five, 1,4-Bis(acetyloxy)-3-(dodecylsulfanyl)-2-naphthyl acetate has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,4-Bis(acetyloxy)-3-(dodecylsulfanyl)-2-naphthyl acetate?
The CAS number of 1,4-Bis(acetyloxy)-3-(dodecylsulfanyl)-2-naphthyl acetate is 41565-78-0.
What is the molecular formula of 1,4-Bis(acetyloxy)-3-(dodecylsulfanyl)-2-naphthyl acetate?
The molecular formula of 1,4-Bis(acetyloxy)-3-(dodecylsulfanyl)-2-naphthyl acetate is C28H38O6S.
What is the molecular weight of 1,4-Bis(acetyloxy)-3-(dodecylsulfanyl)-2-naphthyl acetate?
The molecular weight of 1,4-Bis(acetyloxy)-3-(dodecylsulfanyl)-2-naphthyl acetate is 502.24 g/mol.
Where can I buy 1,4-Bis(acetyloxy)-3-(dodecylsulfanyl)-2-naphthyl acetate?
You can request a quote for 1,4-Bis(acetyloxy)-3-(dodecylsulfanyl)-2-naphthyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Bis(acetyloxy)-3-(dodecylsulfanyl)-2-naphthyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Bis(acetyloxy)-3-(dodecylsulfanyl)-2-naphthyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.