1-Dimethoxyphosphorylbut-2-en-1-ol
TL;DR: 1-Dimethoxyphosphorylbut-2-en-1-ol (CAS 128412-18-0) is a chemical compound with molecular formula C6H13O4P and molecular weight 180.05515 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-dimethoxyphosphorylbut-2-en-1-ol
Also Known As: 1-dimethoxyphosphorylbut-2-en-1-ol, NCI60_037539, dimethyl (1-hydroxybut-2-en-1-yl)phosphonate, (3-Bromo-1-methylpropyl)carbamic acid tert-butyl ester, Phosphonic acid, [(2E)-1-hydroxy-2-butenyl]-, dimethyl ester
Technical Specifications
| Molecular Formula | C6H13O4P |
| Molecular Weight | 180.05515 g/mol |
| XLogP | -0.2 |
| Topological Polar Surface Area (TPSA) | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 180.05515 Da |
| Heavy Atoms | 11 |
| Complexity | 169.0 |
| SMILES | CC=CC(O)P(=O)(OC)OC |
| InChIKey | ZTFCKDGCKRVFED-UHFFFAOYSA-N |
Chemical Property Profile of 1-Dimethoxyphosphorylbut-2-en-1-ol
Property Insights of 1-Dimethoxyphosphorylbut-2-en-1-ol
The XLogP value of -0.2 indicates that 1-Dimethoxyphosphorylbut-2-en-1-ol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 55.8 Ų, 1-Dimethoxyphosphorylbut-2-en-1-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Dimethoxyphosphorylbut-2-en-1-ol has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-Dimethoxyphosphorylbut-2-en-1-ol?
The CAS number of 1-Dimethoxyphosphorylbut-2-en-1-ol is 128412-18-0.
What is the molecular formula of 1-Dimethoxyphosphorylbut-2-en-1-ol?
The molecular formula of 1-Dimethoxyphosphorylbut-2-en-1-ol is C6H13O4P.
What is the molecular weight of 1-Dimethoxyphosphorylbut-2-en-1-ol?
The molecular weight of 1-Dimethoxyphosphorylbut-2-en-1-ol is 180.05515 g/mol.
Where can I buy 1-Dimethoxyphosphorylbut-2-en-1-ol?
You can request a quote for 1-Dimethoxyphosphorylbut-2-en-1-ol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Dimethoxyphosphorylbut-2-en-1-ol?
Yes, CoreyChem provides custom synthesis services for 1-Dimethoxyphosphorylbut-2-en-1-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.