2-Propenoic acid,2-methoxybutyl ester
TL;DR: 2-Propenoic acid,2-methoxybutyl ester (CAS 55995-49-8) is a chemical compound with molecular formula C12H21N2O4PS and molecular weight 320.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethoxy-(6-methyl-2-propan-2-yloxypyrimidin-4-yl)oxy-sulfanylidene-λ5-phosphane
Also Known As: 2-Propenoic acid,2-methoxybutyl ester, Phosphorothioic acid, O,O-diethyl O-(6-methyl-2-(1-methylethoxy)-4-pyrimidinyl) ester, Diethoxy-(6-methyl-2-propan-2-yloxy-pyrimidin-4-yl)oxy-sulfanylidene-phosphorane, diethoxy-(6-methyl-2-propan-2-yloxypyrimidin-4-yl)oxy-sulfanylidene-, diethoxy-(6-methyl-2-propan-2-yloxypyrimidin-4-yl)oxy-sulfanylidene-
| Molecular Formula | C12H21N2O4PS |
|---|---|
| Molecular Weight | 320.10 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 94.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 320.09598 |
| Heavy Atoms | 20 |
| Complexity | 323.0 |
Chemical Identifiers
| CAS Number | 55995-49-8 |
|---|---|
| SMILES | CCOP(=S)(OCC)OC1=NC(=NC(=C1)C)OC(C)C |
| InChIKey | KIWZTAVAOREXFA-UHFFFAOYSA-N |
Product Overview
2-Propenoic acid,2-methoxybutyl ester (CAS 55995-49-8), with molecular formula C12H21N2O4PS and molecular weight 320.10 g/mol. IUPAC: diethoxy-(6-methyl-2-propan-2-yloxypyrimidin-4-yl)oxy-sulfanylidene-λ5-phosphane.
Chemical Property Profile of 2-Propenoic acid,2-methoxybutyl ester
Property Insights of 2-Propenoic acid,2-methoxybutyl ester
The XLogP value of 4.8 indicates that 2-Propenoic acid,2-methoxybutyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Propenoic acid,2-methoxybutyl ester. Following Lipinski's Rule of Five, 2-Propenoic acid,2-methoxybutyl ester has 0 hydrogen bond donor(s) and 7 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 2-Propenoic acid,2-methoxybutyl ester?
The CAS number of 2-Propenoic acid,2-methoxybutyl ester is 55995-49-8.
What is the molecular formula of 2-Propenoic acid,2-methoxybutyl ester?
The molecular formula of 2-Propenoic acid,2-methoxybutyl ester is C12H21N2O4PS.
What is the molecular weight of 2-Propenoic acid,2-methoxybutyl ester?
The molecular weight of 2-Propenoic acid,2-methoxybutyl ester is 320.10 g/mol.
Where can I buy 2-Propenoic acid,2-methoxybutyl ester?
You can request a quote for 2-Propenoic acid,2-methoxybutyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Propenoic acid,2-methoxybutyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Propenoic acid,2-methoxybutyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.