2,3-Dimethyl-1,4-naphthalenediol diacetate
TL;DR: 2,3-Dimethyl-1,4-naphthalenediol diacetate (CAS 77502-18-2) 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.
(4-acetyloxy-2,3-dimethylnaphthalen-1-yl) acetate
Also Known As: 2,3-Dimethylnaphthalene-1,4-diyl diacetate, 2,3-DIMETHYL-1,4-NAPHTHALENEDIOL DIACETATE, 4-(acetyloxy)-2,3-dimethylnaphthalen-1-yl acetate, (4-acetyloxy-2,3-dimethylnaphthalen-1-yl) acetate, (4-acetyloxy-2,3-dimethyl-naphthalen-1-yl) Acetate
| Molecular Formula | C16H16O4 |
|---|---|
| Molecular Weight | 272.10 g/mol |
| LogP | 3.30724 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 272.10486 |
| Heavy Atoms | 20 |
| Complexity | 640.6794 |
Chemical Identifiers
| CAS Number | 77502-18-2 |
|---|---|
| SMILES | CC1=C(C2=CC=CC=C2C(=C1C)OC(=O)C)OC(=O)C |
Product Overview
2,3-Dimethyl-1,4-naphthalenediol diacetate (CAS 77502-18-2), with molecular formula C16H16O4 and molecular weight 272.10 g/mol. IUPAC: (4-acetyloxy-2,3-dimethylnaphthalen-1-yl) acetate.
Chemical Property Profile of 2,3-Dimethyl-1,4-naphthalenediol diacetate
Property Insights of 2,3-Dimethyl-1,4-naphthalenediol diacetate
The XLogP value of 3.30724 indicates that 2,3-Dimethyl-1,4-naphthalenediol diacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 2,3-Dimethyl-1,4-naphthalenediol diacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3-Dimethyl-1,4-naphthalenediol diacetate 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 2,3-Dimethyl-1,4-naphthalenediol diacetate?
The CAS number of 2,3-Dimethyl-1,4-naphthalenediol diacetate is 77502-18-2.
What is the molecular formula of 2,3-Dimethyl-1,4-naphthalenediol diacetate?
The molecular formula of 2,3-Dimethyl-1,4-naphthalenediol diacetate is C16H16O4.
What is the molecular weight of 2,3-Dimethyl-1,4-naphthalenediol diacetate?
The molecular weight of 2,3-Dimethyl-1,4-naphthalenediol diacetate is 272.10 g/mol.
Where can I buy 2,3-Dimethyl-1,4-naphthalenediol diacetate?
You can request a quote for 2,3-Dimethyl-1,4-naphthalenediol diacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3-Dimethyl-1,4-naphthalenediol diacetate?
Yes, KEHONG BIO provides custom synthesis services for 2,3-Dimethyl-1,4-naphthalenediol diacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.