Methyl 3-((1,3-dimethyl-2-sulfido-1,3,2-diazaphospholidin-2-yl)oxy)-2,2,4-trimethyl-3-pentenoate
TL;DR: Methyl 3-((1,3-dimethyl-2-sulfido-1,3,2-diazaphospholidin-2-yl)oxy)-2,2,4-trimethyl-3-pentenoate (CAS 3604-86-2) is a chemical compound with molecular formula C13H25N2O3PS and molecular weight 320.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[(1,3-dimethyl-2-sulfanylidene-1,3,2λ5-diazaphospholidin-2-yl)oxy]-2,2,4-trimethylpent-3-enoate
Also Known As: Methyl 3-((1,3-dimethyl-2-sulfido-1,3,2-diazaphospholidin-2-yl)oxy)-2,2,4-trimethyl-3-pentenoate, methyl 3-[(1,3-dimethyl-2-sulfanylidene-1,3,2, methyl 3-[(1,3-dimethyl-2-sulfanylidene-1,3,2lambda5-diazaphospho, methyl 3-[(1,3-dimethyl-2-sulfanylidene-1,3,2, E5-diazaphospholidin-2-yl)oxy]-2,2,4-trimethylpent-3-enoate
| Molecular Formula | C13H25N2O3PS |
|---|---|
| Molecular Weight | 320.13 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 74.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 320.13235 |
| Heavy Atoms | 20 |
| Complexity | 458.0 |
Chemical Identifiers
| CAS Number | 3604-86-2 |
|---|---|
| SMILES | CC(=C(C(C)(C)C(=O)OC)OP1(=S)N(CCN1C)C)C |
| InChIKey | VNNXAIDKBLSEGR-UHFFFAOYSA-N |
Product Overview
Methyl 3-((1,3-dimethyl-2-sulfido-1,3,2-diazaphospholidin-2-yl)oxy)-2,2,4-trimethyl-3-pentenoate (CAS 3604-86-2), with molecular formula C13H25N2O3PS and molecular weight 320.13 g/mol. IUPAC: methyl 3-[(1,3-dimethyl-2-sulfanylidene-1,3,2λ5-diazaphospholidin-2-yl)oxy]-2,2,4-trimethylpent-3-enoate.
Chemical Property Profile of Methyl 3-((1,3-dimethyl-2-sulfido-1,3,2-diazaphospholidin-2-yl)oxy)-2,2,4-trimethyl-3-pentenoate
Property Insights of Methyl 3-((1,3-dimethyl-2-sulfido-1,3,2-diazaphospholidin-2-yl)oxy)-2,2,4-trimethyl-3-pentenoate
The XLogP value of 3.7 indicates that Methyl 3-((1,3-dimethyl-2-sulfido-1,3,2-diazaphospholidin-2-yl)oxy)-2,2,4-trimethyl-3-pentenoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-((1,3-dimethyl-2-sulfido-1,3,2-diazaphospholidin-2-yl)oxy)-2,2,4-trimethyl-3-pentenoate. Following Lipinski's Rule of Five, Methyl 3-((1,3-dimethyl-2-sulfido-1,3,2-diazaphospholidin-2-yl)oxy)-2,2,4-trimethyl-3-pentenoate 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 Methyl 3-((1,3-dimethyl-2-sulfido-1,3,2-diazaphospholidin-2-yl)oxy)-2,2,4-trimethyl-3-pentenoate?
The CAS number of Methyl 3-((1,3-dimethyl-2-sulfido-1,3,2-diazaphospholidin-2-yl)oxy)-2,2,4-trimethyl-3-pentenoate is 3604-86-2.
What is the molecular formula of Methyl 3-((1,3-dimethyl-2-sulfido-1,3,2-diazaphospholidin-2-yl)oxy)-2,2,4-trimethyl-3-pentenoate?
The molecular formula of Methyl 3-((1,3-dimethyl-2-sulfido-1,3,2-diazaphospholidin-2-yl)oxy)-2,2,4-trimethyl-3-pentenoate is C13H25N2O3PS.
What is the molecular weight of Methyl 3-((1,3-dimethyl-2-sulfido-1,3,2-diazaphospholidin-2-yl)oxy)-2,2,4-trimethyl-3-pentenoate?
The molecular weight of Methyl 3-((1,3-dimethyl-2-sulfido-1,3,2-diazaphospholidin-2-yl)oxy)-2,2,4-trimethyl-3-pentenoate is 320.13 g/mol.
Where can I buy Methyl 3-((1,3-dimethyl-2-sulfido-1,3,2-diazaphospholidin-2-yl)oxy)-2,2,4-trimethyl-3-pentenoate?
You can request a quote for Methyl 3-((1,3-dimethyl-2-sulfido-1,3,2-diazaphospholidin-2-yl)oxy)-2,2,4-trimethyl-3-pentenoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-((1,3-dimethyl-2-sulfido-1,3,2-diazaphospholidin-2-yl)oxy)-2,2,4-trimethyl-3-pentenoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-((1,3-dimethyl-2-sulfido-1,3,2-diazaphospholidin-2-yl)oxy)-2,2,4-trimethyl-3-pentenoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.