(3-Chlorobut-2-enoylamino)methyl dimethyl phosphate
TL;DR: (3-Chlorobut-2-enoylamino)methyl dimethyl phosphate (CAS 34491-04-8) is a chemical compound with molecular formula C7H13ClNO5P and molecular weight 257.02197 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3-chlorobut-2-enoylamino)methyl dimethyl phosphate
Also Known As: (3-Chlorobut-2-enoylamino)methyl dimethyl phosphate, [[(E)-3-chlorobut-2-enoyl]amino]methyl dimethyl phosphate, Phosphoric acid, 2-chloro-1-methyl-3-(methylamino)-3-oxo-1-propenyl dimethyl ester, Phosphoric acid,dimethyl ester,ester with 2-chloro-N-methyl-3-hydroxycrotonamide
Technical Specifications
| Molecular Formula | C7H13ClNO5P |
| Molecular Weight | 257.02197 g/mol |
| XLogP | 0.2 |
| Topological Polar Surface Area (TPSA) | 73.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 257.02197 Da |
| Heavy Atoms | 15 |
| Complexity | 285.0 |
| SMILES | CC(=CC(=O)NCOP(=O)(OC)OC)Cl |
| InChIKey | ISVQLTLOWMKMRM-UHFFFAOYSA-N |
Chemical Property Profile of (3-Chlorobut-2-enoylamino)methyl dimethyl phosphate
Property Insights of (3-Chlorobut-2-enoylamino)methyl dimethyl phosphate
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3-Chlorobut-2-enoylamino)methyl dimethyl phosphate. The TPSA of 73.9 Ų falls within the moderate polarity range, balancing permeability and solubility for (3-Chlorobut-2-enoylamino)methyl dimethyl phosphate. Following Lipinski's Rule of Five, (3-Chlorobut-2-enoylamino)methyl dimethyl phosphate has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of (3-Chlorobut-2-enoylamino)methyl dimethyl phosphate?
The CAS number of (3-Chlorobut-2-enoylamino)methyl dimethyl phosphate is 34491-04-8.
What is the molecular formula of (3-Chlorobut-2-enoylamino)methyl dimethyl phosphate?
The molecular formula of (3-Chlorobut-2-enoylamino)methyl dimethyl phosphate is C7H13ClNO5P.
What is the molecular weight of (3-Chlorobut-2-enoylamino)methyl dimethyl phosphate?
The molecular weight of (3-Chlorobut-2-enoylamino)methyl dimethyl phosphate is 257.02197 g/mol.
Where can I buy (3-Chlorobut-2-enoylamino)methyl dimethyl phosphate?
You can request a quote for (3-Chlorobut-2-enoylamino)methyl dimethyl phosphate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (3-Chlorobut-2-enoylamino)methyl dimethyl phosphate?
Yes, CoreyChem provides custom synthesis services for (3-Chlorobut-2-enoylamino)methyl dimethyl phosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.