2,6-Naphthalenediacetic acid, alpha,alpha'-dimethyl-
TL;DR: 2,6-Naphthalenediacetic acid, alpha,alpha'-dimethyl- (CAS 83162-90-7) 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.
2-[6-(1-carboxyethyl)naphthalen-2-yl]propanoic acid
Also Known As: 2,6-Naphthalenediacetic acid, alpha,alpha'-dimethyl-, 2,2'-(Naphthalene-2,6-diyl)dipropanoic acid, 2-[6-(1-hydroxy-1-oxopropan-2-yl)naphthalen-2-yl]propanoic acid
| Molecular Formula | C16H16O4 |
|---|---|
| Molecular Weight | 272.10 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 272.10486 |
| Heavy Atoms | 20 |
| Complexity | 343.0 |
Chemical Identifiers
| CAS Number | 83162-90-7 |
|---|---|
| SMILES | CC(C1=CC2=C(C=C1)C=C(C=C2)C(C)C(=O)O)C(=O)O |
| InChIKey | PHQQRKZGMBMFDT-UHFFFAOYSA-N |
Product Overview
2,6-Naphthalenediacetic acid, alpha,alpha'-dimethyl- (CAS 83162-90-7), with molecular formula C16H16O4 and molecular weight 272.10 g/mol. IUPAC: 2-[6-(1-carboxyethyl)naphthalen-2-yl]propanoic acid.
Chemical Property Profile of 2,6-Naphthalenediacetic acid, alpha,alpha'-dimethyl-
Property Insights of 2,6-Naphthalenediacetic acid, alpha,alpha'-dimethyl-
The XLogP value of 3.2 indicates that 2,6-Naphthalenediacetic acid, alpha,alpha'-dimethyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,6-Naphthalenediacetic acid, alpha,alpha'-dimethyl-. Following Lipinski's Rule of Five, 2,6-Naphthalenediacetic acid, alpha,alpha'-dimethyl- has 2 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 2,6-Naphthalenediacetic acid, alpha,alpha'-dimethyl-?
The CAS number of 2,6-Naphthalenediacetic acid, alpha,alpha'-dimethyl- is 83162-90-7.
What is the molecular formula of 2,6-Naphthalenediacetic acid, alpha,alpha'-dimethyl-?
The molecular formula of 2,6-Naphthalenediacetic acid, alpha,alpha'-dimethyl- is C16H16O4.
What is the molecular weight of 2,6-Naphthalenediacetic acid, alpha,alpha'-dimethyl-?
The molecular weight of 2,6-Naphthalenediacetic acid, alpha,alpha'-dimethyl- is 272.10 g/mol.
Where can I buy 2,6-Naphthalenediacetic acid, alpha,alpha'-dimethyl-?
You can request a quote for 2,6-Naphthalenediacetic acid, alpha,alpha'-dimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,6-Naphthalenediacetic acid, alpha,alpha'-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for 2,6-Naphthalenediacetic acid, alpha,alpha'-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.