4-Chloro-1,2-naphthalenediol diacetate
TL;DR: 4-Chloro-1,2-naphthalenediol diacetate (CAS 57396-88-0) is a chemical compound with molecular formula C14H11ClO4 and molecular weight 278.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-acetyloxy-4-chloronaphthalen-2-yl) acetate
Also Known As: 4-Chloro-1,2-naphthalenediol diacetate, 4-chloronaphthalene-1,2-diol,diacetate, 1,2-Naphthalenediol, 4-chloro-, diacetate, 1-(Acetyloxy)-4-chloro-2-naphthyl acetate, (1-acetyloxy-4-chloronaphthalen-2-yl) acetate
| Molecular Formula | C14H11ClO4 |
|---|---|
| Molecular Weight | 278.03 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 278.03458 |
| Heavy Atoms | 19 |
| Complexity | 357.0 |
Chemical Identifiers
| CAS Number | 57396-88-0 |
|---|---|
| SMILES | CC(=O)OC1=C(C2=CC=CC=C2C(=C1)Cl)OC(=O)C |
| InChIKey | WBXLEWBXDLFSGP-UHFFFAOYSA-N |
Product Overview
4-Chloro-1,2-naphthalenediol diacetate (CAS 57396-88-0), with molecular formula C14H11ClO4 and molecular weight 278.03 g/mol. IUPAC: (1-acetyloxy-4-chloronaphthalen-2-yl) acetate.
Chemical Property Profile of 4-Chloro-1,2-naphthalenediol diacetate
Property Insights of 4-Chloro-1,2-naphthalenediol diacetate
The XLogP value of 3.3 indicates that 4-Chloro-1,2-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, 4-Chloro-1,2-naphthalenediol diacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-1,2-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 4-Chloro-1,2-naphthalenediol diacetate?
The CAS number of 4-Chloro-1,2-naphthalenediol diacetate is 57396-88-0.
What is the molecular formula of 4-Chloro-1,2-naphthalenediol diacetate?
The molecular formula of 4-Chloro-1,2-naphthalenediol diacetate is C14H11ClO4.
What is the molecular weight of 4-Chloro-1,2-naphthalenediol diacetate?
The molecular weight of 4-Chloro-1,2-naphthalenediol diacetate is 278.03 g/mol.
Where can I buy 4-Chloro-1,2-naphthalenediol diacetate?
You can request a quote for 4-Chloro-1,2-naphthalenediol diacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro-1,2-naphthalenediol diacetate?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-1,2-naphthalenediol diacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.