(2-Methylpropoxy)methanediol
TL;DR: (2-Methylpropoxy)methanediol (CAS 6630-97-3) is a chemical compound with molecular formula C5H12O3 and molecular weight 120.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylpropoxymethanediol
Also Known As: 2-methylpropoxymethanediol, (2-methylpropoxy)methanediol, KST-1A8066, Ethanedione, diphenyl-, mono(phenylhydrazone)
| Molecular Formula | C5H12O3 |
|---|---|
| Molecular Weight | 120.08 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 49.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 120.07864 |
| Heavy Atoms | 8 |
| Complexity | 51.0 |
Chemical Identifiers
| CAS Number | 6630-97-3 |
|---|---|
| SMILES | CC(C)COC(O)O |
| InChIKey | HTKHARRVPIOLGW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(2-Methylpropoxy)methanediol (CAS 6630-97-3), with molecular formula C5H12O3 and molecular weight 120.08 g/mol. IUPAC: 2-methylpropoxymethanediol.
Chemical Property Profile of (2-Methylpropoxy)methanediol
Property Insights of (2-Methylpropoxy)methanediol
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2-Methylpropoxy)methanediol. With a topological polar surface area (TPSA) of 49.7 Ų, (2-Methylpropoxy)methanediol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2-Methylpropoxy)methanediol 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-Methylpropoxy)methanediol?
The CAS number of (2-Methylpropoxy)methanediol is 6630-97-3.
What is the molecular formula of (2-Methylpropoxy)methanediol?
The molecular formula of (2-Methylpropoxy)methanediol is C5H12O3.
What is the molecular weight of (2-Methylpropoxy)methanediol?
The molecular weight of (2-Methylpropoxy)methanediol is 120.08 g/mol.
Where can I buy (2-Methylpropoxy)methanediol?
You can request a quote for (2-Methylpropoxy)methanediol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2-Methylpropoxy)methanediol?
Yes, KEHONG BIO provides custom synthesis services for (2-Methylpropoxy)methanediol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.