1,3-Propanediol, 2-allyl-2-methyl-
TL;DR: 1,3-Propanediol, 2-allyl-2-methyl- (CAS 25462-37-7) is a chemical compound with molecular formula C7H14O2 and molecular weight 130.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-2-prop-2-enylpropane-1,3-diol
Also Known As: 2-Allyl-2-methyl-1,3-propanediol, starbld0009394, 2-methyl-2-prop-2-enylpropane-1,3-diol, 2-Allyl-2-methylpropane-1,3-diol, 1,3-Propanediol, 2-allyl-2-methyl-
| Molecular Formula | C7H14O2 |
|---|---|
| Molecular Weight | 130.10 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 130.09938 |
| Heavy Atoms | 9 |
| Complexity | 84.0 |
Chemical Identifiers
| CAS Number | 25462-37-7 |
|---|---|
| SMILES | CC(CC=C)(CO)CO |
| InChIKey | JJXSMZLINUIUFX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Propanediol, 2-allyl-2-methyl- (CAS 25462-37-7), with molecular formula C7H14O2 and molecular weight 130.10 g/mol. IUPAC: 2-methyl-2-prop-2-enylpropane-1,3-diol.
Chemical Property Profile of 1,3-Propanediol, 2-allyl-2-methyl-
Property Insights of 1,3-Propanediol, 2-allyl-2-methyl-
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Propanediol, 2-allyl-2-methyl-. With a topological polar surface area (TPSA) of 40.5 Ų, 1,3-Propanediol, 2-allyl-2-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Propanediol, 2-allyl-2-methyl- has 2 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 1,3-Propanediol, 2-allyl-2-methyl-?
The CAS number of 1,3-Propanediol, 2-allyl-2-methyl- is 25462-37-7.
What is the molecular formula of 1,3-Propanediol, 2-allyl-2-methyl-?
The molecular formula of 1,3-Propanediol, 2-allyl-2-methyl- is C7H14O2.
What is the molecular weight of 1,3-Propanediol, 2-allyl-2-methyl-?
The molecular weight of 1,3-Propanediol, 2-allyl-2-methyl- is 130.10 g/mol.
Where can I buy 1,3-Propanediol, 2-allyl-2-methyl-?
You can request a quote for 1,3-Propanediol, 2-allyl-2-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Propanediol, 2-allyl-2-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Propanediol, 2-allyl-2-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.