2,5-Dihydroxybenzaldehyde
TL;DR: 2,5-Dihydroxybenzaldehyde (CAS 1194-98-5) is a chemical compound with molecular formula C7H6O3 and molecular weight 138.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,5-dihydroxybenzaldehyde
Also Known As: 2,5-Dihydroxybenzaldehyde, Gentisaldehyde, Gentisate aldehyde, Benzaldehyde, 2,5-dihydroxy-, Gentisinaldehyde
| Molecular Formula | C7H6O3 |
|---|---|
| Molecular Weight | 138.03 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 138.0317 |
| Heavy Atoms | 10 |
| Complexity | 124.0 |
| Melting Point | 100.00 to 103.00 °C. @ 760.00 mm Hg |
| Solubility | 1.38E+04 mg/L @ 25 °C (exp) |
Chemical Identifiers
| CAS Number | 1194-98-5 |
|---|---|
| SMILES | C1=CC(=C(C=C1O)C=O)O |
| InChIKey | CLFRCXCBWIQVRN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,5-Dihydroxybenzaldehyde (CAS 1194-98-5), with molecular formula C7H6O3 and molecular weight 138.03 g/mol. IUPAC: 2,5-dihydroxybenzaldehyde.
Chemical Property Profile of 2,5-Dihydroxybenzaldehyde
Property Insights of 2,5-Dihydroxybenzaldehyde
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,5-Dihydroxybenzaldehyde. With a topological polar surface area (TPSA) of 57.5 Ų, 2,5-Dihydroxybenzaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,5-Dihydroxybenzaldehyde 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 2,5-Dihydroxybenzaldehyde?
The CAS number of 2,5-Dihydroxybenzaldehyde is 1194-98-5.
What is the molecular formula of 2,5-Dihydroxybenzaldehyde?
The molecular formula of 2,5-Dihydroxybenzaldehyde is C7H6O3.
What is the molecular weight of 2,5-Dihydroxybenzaldehyde?
The molecular weight of 2,5-Dihydroxybenzaldehyde is 138.03 g/mol.
Where can I buy 2,5-Dihydroxybenzaldehyde?
You can request a quote for 2,5-Dihydroxybenzaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,5-Dihydroxybenzaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 2,5-Dihydroxybenzaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.