![2-[3-(Hydroxymethyl)-1,4-dimethylnaphthalen-2-yl]benzoic acid structure](/static/products/963/96322-25-7.png)
2-[3-(Hydroxymethyl)-1,4-dimethylnaphthalen-2-yl]benzoic acid
TL;DR: 2-[3-(Hydroxymethyl)-1,4-dimethylnaphthalen-2-yl]benzoic acid (CAS 96322-25-7) is a chemical compound with molecular formula C20H18O3 and molecular weight 306.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(hydroxymethyl)-1,4-dimethylnaphthalen-2-yl]benzoic acid
Also Known As: 2-[3-(hydroxymethyl)-1,4-dimethylnaphthalen-2-yl]benzoic acid, 2-[3-(hydroxymethyl)-1,4-dimethylnaphthalen-2-yl]benzoic aci, Benzoic acid,2-[3-(hydroxymethyl)-1,4-dimethyl-2-naphthalenyl]-
| Molecular Formula | C20H18O3 |
|---|---|
| Molecular Weight | 306.13 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 306.12558 |
| Heavy Atoms | 23 |
| Complexity | 421.0 |
Chemical Identifiers
| CAS Number | 96322-25-7 |
|---|---|
| SMILES | CC1=C(C(=C(C2=CC=CC=C12)C)C3=CC=CC=C3C(=O)O)CO |
| InChIKey | GAANUVRKPNMSRJ-UHFFFAOYSA-N |
Product Overview
2-[3-(Hydroxymethyl)-1,4-dimethylnaphthalen-2-yl]benzoic acid (CAS 96322-25-7), with molecular formula C20H18O3 and molecular weight 306.13 g/mol. IUPAC: 2-[3-(hydroxymethyl)-1,4-dimethylnaphthalen-2-yl]benzoic acid.
Chemical Property Profile of 2-[3-(Hydroxymethyl)-1,4-dimethylnaphthalen-2-yl]benzoic acid
Property Insights of 2-[3-(Hydroxymethyl)-1,4-dimethylnaphthalen-2-yl]benzoic acid
The XLogP value of 4.2 indicates that 2-[3-(Hydroxymethyl)-1,4-dimethylnaphthalen-2-yl]benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.5 Ų, 2-[3-(Hydroxymethyl)-1,4-dimethylnaphthalen-2-yl]benzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[3-(Hydroxymethyl)-1,4-dimethylnaphthalen-2-yl]benzoic acid has 2 hydrogen bond donor(s) and 3 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-(Hydroxymethyl)-1,4-dimethylnaphthalen-2-yl]benzoic acid?
The CAS number of 2-[3-(Hydroxymethyl)-1,4-dimethylnaphthalen-2-yl]benzoic acid is 96322-25-7.
What is the molecular formula of 2-[3-(Hydroxymethyl)-1,4-dimethylnaphthalen-2-yl]benzoic acid?
The molecular formula of 2-[3-(Hydroxymethyl)-1,4-dimethylnaphthalen-2-yl]benzoic acid is C20H18O3.
What is the molecular weight of 2-[3-(Hydroxymethyl)-1,4-dimethylnaphthalen-2-yl]benzoic acid?
The molecular weight of 2-[3-(Hydroxymethyl)-1,4-dimethylnaphthalen-2-yl]benzoic acid is 306.13 g/mol.
Where can I buy 2-[3-(Hydroxymethyl)-1,4-dimethylnaphthalen-2-yl]benzoic acid?
You can request a quote for 2-[3-(Hydroxymethyl)-1,4-dimethylnaphthalen-2-yl]benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[3-(Hydroxymethyl)-1,4-dimethylnaphthalen-2-yl]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[3-(Hydroxymethyl)-1,4-dimethylnaphthalen-2-yl]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.