Acetic acid (4-acetyloxy-6,7-dimethyl-5,8-dihydronaphthalen-1-yl) ester
TL;DR: Acetic acid (4-acetyloxy-6,7-dimethyl-5,8-dihydronaphthalen-1-yl) ester (CAS 57998-99-9) is a chemical compound with molecular formula C16H18O4 and molecular weight 274.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-acetyloxy-6,7-dimethyl-5,8-dihydronaphthalen-1-yl) acetate
Also Known As: (4-acetyloxy-6,7-dimethyl-5,8-dihydronaphthalen-1-yl) acetate, 6,7-dimethyl-5,8-dihydronaphthalene-1,4-diyl diacetate, acetic acid (4-acetyloxy-6,7-dimethyl-5,8-dihydronaphthalen-1-yl) ester, (4-acetyloxy-6,7-dimethyl-5,8-dihydronaphthalen-1-yl) acetat
| Molecular Formula | C16H18O4 |
|---|---|
| Molecular Weight | 274.12 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 274.1205 |
| Heavy Atoms | 20 |
| Complexity | 398.0 |
Chemical Identifiers
| CAS Number | 57998-99-9 |
|---|---|
| SMILES | CC1=C(CC2=C(C=CC(=C2C1)OC(=O)C)OC(=O)C)C |
| InChIKey | SEGUKPAFTPETCX-UHFFFAOYSA-N |
Product Overview
Acetic acid (4-acetyloxy-6,7-dimethyl-5,8-dihydronaphthalen-1-yl) ester (CAS 57998-99-9), with molecular formula C16H18O4 and molecular weight 274.12 g/mol. IUPAC: (4-acetyloxy-6,7-dimethyl-5,8-dihydronaphthalen-1-yl) acetate.
Chemical Property Profile of Acetic acid (4-acetyloxy-6,7-dimethyl-5,8-dihydronaphthalen-1-yl) ester
Property Insights of Acetic acid (4-acetyloxy-6,7-dimethyl-5,8-dihydronaphthalen-1-yl) ester
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetic acid (4-acetyloxy-6,7-dimethyl-5,8-dihydronaphthalen-1-yl) ester. With a topological polar surface area (TPSA) of 52.6 Ų, Acetic acid (4-acetyloxy-6,7-dimethyl-5,8-dihydronaphthalen-1-yl) ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetic acid (4-acetyloxy-6,7-dimethyl-5,8-dihydronaphthalen-1-yl) ester 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 Acetic acid (4-acetyloxy-6,7-dimethyl-5,8-dihydronaphthalen-1-yl) ester?
The CAS number of Acetic acid (4-acetyloxy-6,7-dimethyl-5,8-dihydronaphthalen-1-yl) ester is 57998-99-9.
What is the molecular formula of Acetic acid (4-acetyloxy-6,7-dimethyl-5,8-dihydronaphthalen-1-yl) ester?
The molecular formula of Acetic acid (4-acetyloxy-6,7-dimethyl-5,8-dihydronaphthalen-1-yl) ester is C16H18O4.
What is the molecular weight of Acetic acid (4-acetyloxy-6,7-dimethyl-5,8-dihydronaphthalen-1-yl) ester?
The molecular weight of Acetic acid (4-acetyloxy-6,7-dimethyl-5,8-dihydronaphthalen-1-yl) ester is 274.12 g/mol.
Where can I buy Acetic acid (4-acetyloxy-6,7-dimethyl-5,8-dihydronaphthalen-1-yl) ester?
You can request a quote for Acetic acid (4-acetyloxy-6,7-dimethyl-5,8-dihydronaphthalen-1-yl) ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid (4-acetyloxy-6,7-dimethyl-5,8-dihydronaphthalen-1-yl) ester?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid (4-acetyloxy-6,7-dimethyl-5,8-dihydronaphthalen-1-yl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.