3-(Hydroxymethyl)-2,4,6-trimethylbenzaldehyde
TL;DR: 3-(Hydroxymethyl)-2,4,6-trimethylbenzaldehyde (CAS 137380-49-5) is a chemical compound with molecular formula C11H14O2 and molecular weight 178.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(hydroxymethyl)-2,4,6-trimethylbenzaldehyde
Also Known As: 3-(hydroxymethyl)-2,4,6-trimethylbenzaldehyde, benzaldehyde, 3-(hydroxymethyl)-2,4,6-trimethyl-, CHEMBRDG-BB 5182639, 4033AD, BAS 00746074
| Molecular Formula | C11H14O2 |
|---|---|
| Molecular Weight | 178.10 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 178.09938 |
| Heavy Atoms | 13 |
| Complexity | 179.0 |
Chemical Identifiers
| CAS Number | 137380-49-5 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1CO)C)C=O)C |
| InChIKey | GJSOCYDNDMREOL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(Hydroxymethyl)-2,4,6-trimethylbenzaldehyde (CAS 137380-49-5), with molecular formula C11H14O2 and molecular weight 178.10 g/mol. IUPAC: 3-(hydroxymethyl)-2,4,6-trimethylbenzaldehyde.
Chemical Property Profile of 3-(Hydroxymethyl)-2,4,6-trimethylbenzaldehyde
Property Insights of 3-(Hydroxymethyl)-2,4,6-trimethylbenzaldehyde
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Hydroxymethyl)-2,4,6-trimethylbenzaldehyde. With a topological polar surface area (TPSA) of 37.3 Ų, 3-(Hydroxymethyl)-2,4,6-trimethylbenzaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Hydroxymethyl)-2,4,6-trimethylbenzaldehyde 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 3-(Hydroxymethyl)-2,4,6-trimethylbenzaldehyde?
The CAS number of 3-(Hydroxymethyl)-2,4,6-trimethylbenzaldehyde is 137380-49-5.
What is the molecular formula of 3-(Hydroxymethyl)-2,4,6-trimethylbenzaldehyde?
The molecular formula of 3-(Hydroxymethyl)-2,4,6-trimethylbenzaldehyde is C11H14O2.
What is the molecular weight of 3-(Hydroxymethyl)-2,4,6-trimethylbenzaldehyde?
The molecular weight of 3-(Hydroxymethyl)-2,4,6-trimethylbenzaldehyde is 178.10 g/mol.
Where can I buy 3-(Hydroxymethyl)-2,4,6-trimethylbenzaldehyde?
You can request a quote for 3-(Hydroxymethyl)-2,4,6-trimethylbenzaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Hydroxymethyl)-2,4,6-trimethylbenzaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 3-(Hydroxymethyl)-2,4,6-trimethylbenzaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.