![4-Butyl 1-ethyl 2-[(dimethoxyphosphorothioyl)sulfanyl]butanedioate structure](/static/products/3913/39136-63-5.webp)
4-Butyl 1-ethyl 2-[(dimethoxyphosphorothioyl)sulfanyl]butanedioate
TL;DR: 4-Butyl 1-ethyl 2-[(dimethoxyphosphorothioyl)sulfanyl]butanedioate (CAS 39136-63-5) is a chemical compound with molecular formula C12H23O6PS2 and molecular weight 358.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-O-butyl 1-O-ethyl 2-dimethoxyphosphinothioylsulfanylbutanedioate
Also Known As: 2-n-Butylpyrrolidine, 4-butyl 1-ethyl 2-[(dimethoxyphosphorothioyl)sulfanyl]butanedioate, 4-O-butyl 1-O-ethyl 2-dimethoxyphosphinothioylsulfanylbutanedioate, Ethyl Butyl 2-dimethoxyphosphinothioylsulfanylbutanedioate, Succinic acid, mercapto-, butyl ethyl ester, S-ester with O,O-dimethyl phosphorodithioate
| Molecular Formula | C12H23O6PS2 |
|---|---|
| Molecular Weight | 358.07 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 128.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 13 |
| Exact Mass | 358.06738 |
| Heavy Atoms | 21 |
| Complexity | 369.0 |
Chemical Identifiers
| CAS Number | 39136-63-5 |
|---|---|
| SMILES | CCCCOC(=O)CC(C(=O)OCC)SP(=S)(OC)OC |
| InChIKey | SNWKALBCPLZFCB-UHFFFAOYSA-N |
Product Overview
4-Butyl 1-ethyl 2-[(dimethoxyphosphorothioyl)sulfanyl]butanedioate (CAS 39136-63-5), with molecular formula C12H23O6PS2 and molecular weight 358.07 g/mol. IUPAC: 4-O-butyl 1-O-ethyl 2-dimethoxyphosphinothioylsulfanylbutanedioate.
Chemical Property Profile of 4-Butyl 1-ethyl 2-[(dimethoxyphosphorothioyl)sulfanyl]butanedioate
Property Insights of 4-Butyl 1-ethyl 2-[(dimethoxyphosphorothioyl)sulfanyl]butanedioate
The XLogP value of 3.2 indicates that 4-Butyl 1-ethyl 2-[(dimethoxyphosphorothioyl)sulfanyl]butanedioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 128.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Butyl 1-ethyl 2-[(dimethoxyphosphorothioyl)sulfanyl]butanedioate. Following Lipinski's Rule of Five, 4-Butyl 1-ethyl 2-[(dimethoxyphosphorothioyl)sulfanyl]butanedioate 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 4-Butyl 1-ethyl 2-[(dimethoxyphosphorothioyl)sulfanyl]butanedioate?
The CAS number of 4-Butyl 1-ethyl 2-[(dimethoxyphosphorothioyl)sulfanyl]butanedioate is 39136-63-5.
What is the molecular formula of 4-Butyl 1-ethyl 2-[(dimethoxyphosphorothioyl)sulfanyl]butanedioate?
The molecular formula of 4-Butyl 1-ethyl 2-[(dimethoxyphosphorothioyl)sulfanyl]butanedioate is C12H23O6PS2.
What is the molecular weight of 4-Butyl 1-ethyl 2-[(dimethoxyphosphorothioyl)sulfanyl]butanedioate?
The molecular weight of 4-Butyl 1-ethyl 2-[(dimethoxyphosphorothioyl)sulfanyl]butanedioate is 358.07 g/mol.
Where can I buy 4-Butyl 1-ethyl 2-[(dimethoxyphosphorothioyl)sulfanyl]butanedioate?
You can request a quote for 4-Butyl 1-ethyl 2-[(dimethoxyphosphorothioyl)sulfanyl]butanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Butyl 1-ethyl 2-[(dimethoxyphosphorothioyl)sulfanyl]butanedioate?
Yes, KEHONG BIO provides custom synthesis services for 4-Butyl 1-ethyl 2-[(dimethoxyphosphorothioyl)sulfanyl]butanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.