3-(二甲氧基磷酰氧基)丁-2-烯酸乙酯
TL;DR: 3-(二甲氧基磷酰氧基)丁-2-烯酸乙酯 (CAS 26729-68-0) is a chemical compound with molecular formula C8H15O6P and molecular weight 238.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(二甲氧基磷酰氧基)丁-2-烯酸乙酯
ethyl 3-dimethoxyphosphoryloxybut-2-enoate
Also Known As: Spectrum2_001857, Spectrum3_000808, Spectrum4_000648, KBio2_002253, DivK1c_006452
| Molecular Formula | C8H15O6P |
|---|---|
| Molecular Weight | 238.06 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 71.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 238.06062 |
| Heavy Atoms | 15 |
| Complexity | 277.0 |
Chemical Identifiers
| CAS Number | 26729-68-0 |
|---|---|
| SMILES | CCOC(=O)C=C(C)OP(=O)(OC)OC |
| InChIKey | DKNJTJKYWXJCIR-UHFFFAOYSA-N |
Product Overview
3-(二甲氧基磷酰氧基)丁-2-烯酸乙酯 (CAS 26729-68-0), with molecular formula C8H15O6P and molecular weight 238.06 g/mol. IUPAC: ethyl 3-dimethoxyphosphoryloxybut-2-enoate.
Chemical Property Profile of 3-(二甲氧基磷酰氧基)丁-2-烯酸乙酯
Property Insights of 3-(二甲氧基磷酰氧基)丁-2-烯酸乙酯
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(二甲氧基磷酰氧基)丁-2-烯酸乙酯. The TPSA of 71.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(二甲氧基磷酰氧基)丁-2-烯酸乙酯. Following Lipinski's Rule of Five, Ethyl 3-dimethoxyphosphoryloxybut-2-enoate has 0 hydrogen bond donor(s) and 6 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 Ethyl 3-dimethoxyphosphoryloxybut-2-enoate?
The CAS number of Ethyl 3-dimethoxyphosphoryloxybut-2-enoate is 26729-68-0.
What is the molecular formula of Ethyl 3-dimethoxyphosphoryloxybut-2-enoate?
The molecular formula of Ethyl 3-dimethoxyphosphoryloxybut-2-enoate is C8H15O6P.
What is the molecular weight of Ethyl 3-dimethoxyphosphoryloxybut-2-enoate?
The molecular weight of Ethyl 3-dimethoxyphosphoryloxybut-2-enoate is 238.06 g/mol.
Where can I buy Ethyl 3-dimethoxyphosphoryloxybut-2-enoate?
You can request a quote for Ethyl 3-dimethoxyphosphoryloxybut-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-dimethoxyphosphoryloxybut-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-dimethoxyphosphoryloxybut-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.