3-Methylorcylaldehyde
TL;DR: 3-Methylorcylaldehyde (CAS 34883-14-2) is a chemical compound with molecular formula C9H10O3 and molecular weight 166.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4-dihydroxy-3,6-dimethylbenzaldehyde
Also Known As: 3-Methylorcylaldehyde, 2,4-Dihydroxy-3,6-dimethylbenzaldehyde, 3-methylorcinaldehyde, beta-Orcinaldehyde, beta-Orcylaldehyde
| Molecular Formula | C9H10O3 |
|---|---|
| Molecular Weight | 166.06 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 166.06299 |
| Heavy Atoms | 12 |
| Complexity | 169.0 |
Chemical Identifiers
| CAS Number | 34883-14-2 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1C=O)O)C)O |
| InChIKey | XOAAGSCMGLMPKG-UHFFFAOYSA-N |
Product Overview
3-Methylorcylaldehyde (CAS 34883-14-2), with molecular formula C9H10O3 and molecular weight 166.06 g/mol. IUPAC: 2,4-dihydroxy-3,6-dimethylbenzaldehyde.
Chemical Property Profile of 3-Methylorcylaldehyde
Property Insights of 3-Methylorcylaldehyde
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methylorcylaldehyde. With a topological polar surface area (TPSA) of 57.5 Ų, 3-Methylorcylaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methylorcylaldehyde 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 3-Methylorcylaldehyde?
The CAS number of 3-Methylorcylaldehyde is 34883-14-2.
What is the molecular formula of 3-Methylorcylaldehyde?
The molecular formula of 3-Methylorcylaldehyde is C9H10O3.
What is the molecular weight of 3-Methylorcylaldehyde?
The molecular weight of 3-Methylorcylaldehyde is 166.06 g/mol.
Where can I buy 3-Methylorcylaldehyde?
You can request a quote for 3-Methylorcylaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methylorcylaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 3-Methylorcylaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.