Phosphoric acid, 3-amino-2-chloro-1-methyl-3-oxo-1-propenyl dimethyl ester
TL;DR: Phosphoric acid, 3-amino-2-chloro-1-methyl-3-oxo-1-propenyl dimethyl ester (CAS 16655-69-9) is a chemical compound with molecular formula C6H11ClNO5P and molecular weight 243.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(Z)-4-amino-3-chloro-4-oxobut-2-en-2-yl] dimethyl phosphate
Also Known As: Phosphamidon amide, Dimethyl phosphate, ester with 2-chloro-3-hydroxycrotonamide, Phosphoric acid, 3-amino-2-chloro-1-methyl-3-oxo-1-propenyl dimethyl ester, Phosphoric acid, 3-amino-2-chloro-1-methyl-3-oxo-2-propenyl dimethyl ester, Phosphoric acid, dimethyl ester, ester with 2-chloro-3-hydroxycrotonamide
| Molecular Formula | C6H11ClNO5P |
|---|---|
| Molecular Weight | 243.01 g/mol |
| LogP | 1.3595 |
| Topological Polar Surface Area | 87.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 243.00633 |
| Heavy Atoms | 14 |
| Complexity | 294.597 |
Chemical Identifiers
| CAS Number | 16655-69-9 |
|---|---|
| SMILES | C/C(=C(\C(=O)N)/Cl)/OP(=O)(OC)OC |
Product Overview
Phosphoric acid, 3-amino-2-chloro-1-methyl-3-oxo-1-propenyl dimethyl ester (CAS 16655-69-9), with molecular formula C6H11ClNO5P and molecular weight 243.01 g/mol. IUPAC: [(Z)-4-amino-3-chloro-4-oxobut-2-en-2-yl] dimethyl phosphate.
Chemical Property Profile of Phosphoric acid, 3-amino-2-chloro-1-methyl-3-oxo-1-propenyl dimethyl ester
Property Insights of Phosphoric acid, 3-amino-2-chloro-1-methyl-3-oxo-1-propenyl dimethyl ester
The XLogP value of 1.3595 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phosphoric acid, 3-amino-2-chloro-1-methyl-3-oxo-1-propenyl dimethyl ester. The TPSA of 87.85 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphoric acid, 3-amino-2-chloro-1-methyl-3-oxo-1-propenyl dimethyl ester. Following Lipinski's Rule of Five, Phosphoric acid, 3-amino-2-chloro-1-methyl-3-oxo-1-propenyl dimethyl ester 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
Frequently Asked Questions
What is the CAS number of Phosphoric acid, 3-amino-2-chloro-1-methyl-3-oxo-1-propenyl dimethyl ester?
The CAS number of Phosphoric acid, 3-amino-2-chloro-1-methyl-3-oxo-1-propenyl dimethyl ester is 16655-69-9.
What is the molecular formula of Phosphoric acid, 3-amino-2-chloro-1-methyl-3-oxo-1-propenyl dimethyl ester?
The molecular formula of Phosphoric acid, 3-amino-2-chloro-1-methyl-3-oxo-1-propenyl dimethyl ester is C6H11ClNO5P.
What is the molecular weight of Phosphoric acid, 3-amino-2-chloro-1-methyl-3-oxo-1-propenyl dimethyl ester?
The molecular weight of Phosphoric acid, 3-amino-2-chloro-1-methyl-3-oxo-1-propenyl dimethyl ester is 243.01 g/mol.
Where can I buy Phosphoric acid, 3-amino-2-chloro-1-methyl-3-oxo-1-propenyl dimethyl ester?
You can request a quote for Phosphoric acid, 3-amino-2-chloro-1-methyl-3-oxo-1-propenyl dimethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phosphoric acid, 3-amino-2-chloro-1-methyl-3-oxo-1-propenyl dimethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphoric acid, 3-amino-2-chloro-1-methyl-3-oxo-1-propenyl dimethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.