2,3-Bis(hydroxymethyl)naphthalene
TL;DR: 2,3-Bis(hydroxymethyl)naphthalene (CAS 954220-76-9) is a chemical compound with molecular formula C12H12O2 and molecular weight 188.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(hydroxymethyl)naphthalen-2-yl]methanol
Also Known As: 2,3-Bis(hydroxymethyl)naphthalene, naphthalene-2,3-diyldimethanol, 2,3-Naphthalenedimethanol, [3-(hydroxymethyl)naphthalen-2-yl]methanol, naphthalene-2,3-dimethanol
| Molecular Formula | C12H12O2 |
|---|---|
| Molecular Weight | 188.08 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 188.08372 |
| Heavy Atoms | 14 |
| Complexity | 161.0 |
Chemical Identifiers
| CAS Number | 954220-76-9 |
|---|---|
| SMILES | C1=CC=C2C=C(C(=CC2=C1)CO)CO |
| InChIKey | DTYJRRQQOLBRGH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,3-Bis(hydroxymethyl)naphthalene (CAS 954220-76-9), with molecular formula C12H12O2 and molecular weight 188.08 g/mol. IUPAC: [3-(hydroxymethyl)naphthalen-2-yl]methanol.
Chemical Property Profile of 2,3-Bis(hydroxymethyl)naphthalene
Property Insights of 2,3-Bis(hydroxymethyl)naphthalene
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3-Bis(hydroxymethyl)naphthalene. With a topological polar surface area (TPSA) of 40.5 Ų, 2,3-Bis(hydroxymethyl)naphthalene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3-Bis(hydroxymethyl)naphthalene has 2 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 2,3-Bis(hydroxymethyl)naphthalene?
The CAS number of 2,3-Bis(hydroxymethyl)naphthalene is 954220-76-9.
What is the molecular formula of 2,3-Bis(hydroxymethyl)naphthalene?
The molecular formula of 2,3-Bis(hydroxymethyl)naphthalene is C12H12O2.
What is the molecular weight of 2,3-Bis(hydroxymethyl)naphthalene?
The molecular weight of 2,3-Bis(hydroxymethyl)naphthalene is 188.08 g/mol.
Where can I buy 2,3-Bis(hydroxymethyl)naphthalene?
You can request a quote for 2,3-Bis(hydroxymethyl)naphthalene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3-Bis(hydroxymethyl)naphthalene?
Yes, KEHONG BIO provides custom synthesis services for 2,3-Bis(hydroxymethyl)naphthalene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.