Butanal, 2-hydroxy-3-methyl-
TL;DR: Butanal, 2-hydroxy-3-methyl- (CAS 67755-97-9) is a chemical compound with molecular formula C5H10O2 and molecular weight 102.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxy-3-methylbutanal
Also Known As: 2-Hydroxy-3-methylbutanal, Butanal, 2-hydroxy-3-methyl-, 2-hydroxy-3-methyl-butanal, 2-Hydroxy-3-methylbutyraldehyde, 2,2-dimethyl-3-hydroxypropanaldehyde
| Molecular Formula | C5H10O2 |
|---|---|
| Molecular Weight | 102.07 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 102.06808 |
| Heavy Atoms | 7 |
| Complexity | 59.0 |
Chemical Identifiers
| CAS Number | 67755-97-9 |
|---|---|
| SMILES | CC(C)C(C=O)O |
| InChIKey | VKYKDJZVZBURQF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Butanal, 2-hydroxy-3-methyl- (CAS 67755-97-9), with molecular formula C5H10O2 and molecular weight 102.07 g/mol. IUPAC: 2-hydroxy-3-methylbutanal.
Chemical Property Profile of Butanal, 2-hydroxy-3-methyl-
Property Insights of Butanal, 2-hydroxy-3-methyl-
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butanal, 2-hydroxy-3-methyl-. With a topological polar surface area (TPSA) of 37.3 Ų, Butanal, 2-hydroxy-3-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butanal, 2-hydroxy-3-methyl- 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 Butanal, 2-hydroxy-3-methyl-?
The CAS number of Butanal, 2-hydroxy-3-methyl- is 67755-97-9.
What is the molecular formula of Butanal, 2-hydroxy-3-methyl-?
The molecular formula of Butanal, 2-hydroxy-3-methyl- is C5H10O2.
What is the molecular weight of Butanal, 2-hydroxy-3-methyl-?
The molecular weight of Butanal, 2-hydroxy-3-methyl- is 102.07 g/mol.
Where can I buy Butanal, 2-hydroxy-3-methyl-?
You can request a quote for Butanal, 2-hydroxy-3-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butanal, 2-hydroxy-3-methyl-?
Yes, KEHONG BIO provides custom synthesis services for Butanal, 2-hydroxy-3-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.