2-Pentenedioic acid, 3-((dimethoxyphosphinyl)oxy)-, 1,5-dimethyl ester
TL;DR: 2-Pentenedioic acid, 3-((dimethoxyphosphinyl)oxy)-, 1,5-dimethyl ester (CAS 122-10-1) is a chemical compound with molecular formula C9H15O8P and molecular weight 282.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 3-dimethoxyphosphoryloxypent-2-enedioate
Also Known As: BOMYL, Dimethyl 3-hydroxyglutaconate dimethyl phosphate, dimethyl 3-dimethoxyphosphoryloxypent-2-enedioate, Dimethyl-13-bis(carbomethoxy)-1-propen-2-yl phosphate, dimethyl (Z)-3-dimethoxyphosphoryloxypent-2-enedioate
| Molecular Formula | C9H15O8P |
|---|---|
| Molecular Weight | 282.05 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 97.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 282.05045 |
| Heavy Atoms | 18 |
| Complexity | 367.0 |
| Boiling Point | 155-164 °C @ 17 MM HG |
| Density | 1.2 |
| Solubility | MISCIBLE WITH METHANOL, ETHANOL, ACETONE, XYLENE; PRACTICALLY INSOL IN WATER, PETROLEUM ETHER, KEROSENE |
| Vapor Pressure | 25.0 [mmHg] |
Chemical Identifiers
| CAS Number | 122-10-1 |
|---|---|
| SMILES | COC(=O)CC(=CC(=O)OC)OP(=O)(OC)OC |
| InChIKey | BZSSHIWHSJYWAD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Pentenedioic acid, 3-((dimethoxyphosphinyl)oxy)-, 1,5-dimethyl ester (CAS 122-10-1), with molecular formula C9H15O8P and molecular weight 282.05 g/mol. IUPAC: dimethyl 3-dimethoxyphosphoryloxypent-2-enedioate.
Chemical Property Profile of 2-Pentenedioic acid, 3-((dimethoxyphosphinyl)oxy)-, 1,5-dimethyl ester
Property Insights of 2-Pentenedioic acid, 3-((dimethoxyphosphinyl)oxy)-, 1,5-dimethyl ester
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Pentenedioic acid, 3-((dimethoxyphosphinyl)oxy)-, 1,5-dimethyl ester. The TPSA of 97.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Pentenedioic acid, 3-((dimethoxyphosphinyl)oxy)-, 1,5-dimethyl ester. Following Lipinski's Rule of Five, 2-Pentenedioic acid, 3-((dimethoxyphosphinyl)oxy)-, 1,5-dimethyl ester has 0 hydrogen bond donor(s) and 8 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-Pentenedioic acid, 3-((dimethoxyphosphinyl)oxy)-, 1,5-dimethyl ester?
The CAS number of 2-Pentenedioic acid, 3-((dimethoxyphosphinyl)oxy)-, 1,5-dimethyl ester is 122-10-1.
What is the molecular formula of 2-Pentenedioic acid, 3-((dimethoxyphosphinyl)oxy)-, 1,5-dimethyl ester?
The molecular formula of 2-Pentenedioic acid, 3-((dimethoxyphosphinyl)oxy)-, 1,5-dimethyl ester is C9H15O8P.
What is the molecular weight of 2-Pentenedioic acid, 3-((dimethoxyphosphinyl)oxy)-, 1,5-dimethyl ester?
The molecular weight of 2-Pentenedioic acid, 3-((dimethoxyphosphinyl)oxy)-, 1,5-dimethyl ester is 282.05 g/mol.
Where can I buy 2-Pentenedioic acid, 3-((dimethoxyphosphinyl)oxy)-, 1,5-dimethyl ester?
You can request a quote for 2-Pentenedioic acid, 3-((dimethoxyphosphinyl)oxy)-, 1,5-dimethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Pentenedioic acid, 3-((dimethoxyphosphinyl)oxy)-, 1,5-dimethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Pentenedioic acid, 3-((dimethoxyphosphinyl)oxy)-, 1,5-dimethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.