3-Hydroxy-N,N-dimethylcrotonamide dimethyl phosphate
TL;DR: 3-Hydroxy-N,N-dimethylcrotonamide dimethyl phosphate (CAS 3735-78-2) is a chemical compound with molecular formula C8H16NO5P and molecular weight 237.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(dimethylamino)-4-oxobut-2-en-2-yl] dimethyl phosphate
Also Known As: DICROTOPHOS, Bidrin, 3-Hydroxy-N,N-dimethylcrotonamide dimethyl phosphate, [4-(dimethylamino)-4-oxobut-2-en-2-yl] dimethyl phosphate, 3-(Dimethylamino)-1-methyl-3-oxoprop-1-enyl dimethyl phosphate
| Molecular Formula | C8H16NO5P |
|---|---|
| Molecular Weight | 237.08 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 65.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 237.07661 |
| Heavy Atoms | 15 |
| Complexity | 291.0 |
Chemical Identifiers
| CAS Number | 3735-78-2 |
|---|---|
| SMILES | CC(=CC(=O)N(C)C)OP(=O)(OC)OC |
| InChIKey | VEENJGZXVHKXNB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Hydroxy-N,N-dimethylcrotonamide dimethyl phosphate (CAS 3735-78-2), with molecular formula C8H16NO5P and molecular weight 237.08 g/mol. IUPAC: [4-(dimethylamino)-4-oxobut-2-en-2-yl] dimethyl phosphate.
Chemical Property Profile of 3-Hydroxy-N,N-dimethylcrotonamide dimethyl phosphate
Property Insights of 3-Hydroxy-N,N-dimethylcrotonamide dimethyl phosphate
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Hydroxy-N,N-dimethylcrotonamide dimethyl phosphate. The TPSA of 65.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Hydroxy-N,N-dimethylcrotonamide dimethyl phosphate. Following Lipinski's Rule of Five, 3-Hydroxy-N,N-dimethylcrotonamide dimethyl phosphate has 0 hydrogen bond donor(s) and 5 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 3-Hydroxy-N,N-dimethylcrotonamide dimethyl phosphate?
The CAS number of 3-Hydroxy-N,N-dimethylcrotonamide dimethyl phosphate is 3735-78-2.
What is the molecular formula of 3-Hydroxy-N,N-dimethylcrotonamide dimethyl phosphate?
The molecular formula of 3-Hydroxy-N,N-dimethylcrotonamide dimethyl phosphate is C8H16NO5P.
What is the molecular weight of 3-Hydroxy-N,N-dimethylcrotonamide dimethyl phosphate?
The molecular weight of 3-Hydroxy-N,N-dimethylcrotonamide dimethyl phosphate is 237.08 g/mol.
Where can I buy 3-Hydroxy-N,N-dimethylcrotonamide dimethyl phosphate?
You can request a quote for 3-Hydroxy-N,N-dimethylcrotonamide dimethyl phosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Hydroxy-N,N-dimethylcrotonamide dimethyl phosphate?
Yes, KEHONG BIO provides custom synthesis services for 3-Hydroxy-N,N-dimethylcrotonamide dimethyl phosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.