2-Naphthaleneacetic acid, 6-acetyl-
TL;DR: 2-Naphthaleneacetic acid, 6-acetyl- (CAS 91040-94-7) is a chemical compound with molecular formula C14H12O3 and molecular weight 228.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(6-acetylnaphthalen-2-yl)acetic acid
Also Known As: 2-Naphthaleneacetic acid, 6-acetyl-, 6-Acetyl-2-naphthaleneacetic acid, Acide acetyl-6 naphthyl-2 acetique, Acide acetyl-6 naphthyl-2 acetique [French], (6-Acetylnaphthalen-2-yl)acetic acid
| Molecular Formula | C14H12O3 |
|---|---|
| Molecular Weight | 228.08 g/mol |
| LogP | 2.6695 |
| Topological Polar Surface Area | 54.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 228.07864 |
| Heavy Atoms | 17 |
| Complexity | 599.43884 |
Chemical Identifiers
| CAS Number | 91040-94-7 |
|---|---|
| SMILES | CC(=O)C1=CC2=C(C=C1)C=C(C=C2)CC(=O)O |
Product Overview
2-Naphthaleneacetic acid, 6-acetyl- (CAS 91040-94-7), with molecular formula C14H12O3 and molecular weight 228.08 g/mol. IUPAC: 2-(6-acetylnaphthalen-2-yl)acetic acid.
Chemical Property Profile of 2-Naphthaleneacetic acid, 6-acetyl-
Property Insights of 2-Naphthaleneacetic acid, 6-acetyl-
The XLogP value of 2.6695 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Naphthaleneacetic acid, 6-acetyl-. With a topological polar surface area (TPSA) of 54.37 Ų, 2-Naphthaleneacetic acid, 6-acetyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Naphthaleneacetic acid, 6-acetyl- has 1 hydrogen bond donor(s) and 2 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-Naphthaleneacetic acid, 6-acetyl-?
The CAS number of 2-Naphthaleneacetic acid, 6-acetyl- is 91040-94-7.
What is the molecular formula of 2-Naphthaleneacetic acid, 6-acetyl-?
The molecular formula of 2-Naphthaleneacetic acid, 6-acetyl- is C14H12O3.
What is the molecular weight of 2-Naphthaleneacetic acid, 6-acetyl-?
The molecular weight of 2-Naphthaleneacetic acid, 6-acetyl- is 228.08 g/mol.
Where can I buy 2-Naphthaleneacetic acid, 6-acetyl-?
You can request a quote for 2-Naphthaleneacetic acid, 6-acetyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Naphthaleneacetic acid, 6-acetyl-?
Yes, KEHONG BIO provides custom synthesis services for 2-Naphthaleneacetic acid, 6-acetyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.