RefChem:1063859
TL;DR: RefChem:1063859 (CAS 74789-30-3) is a chemical compound with molecular formula C12H25O4PS2 and molecular weight 328.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylpropyl 2-[[methyl(2-methylpropoxy)phosphoryl]sulfanylmethylsulfanyl]acetate
Also Known As: Acetic acid, 2-(mercaptomethylthio)-, isobutyl ester, S-ester with O-isobutyl methylphosphonothioate, 2-Methylpropyl 6,9-dimethyl-6-oxo-7-oxa-3,5-dithia-6lambda~5~-phosphadecan-1-oate, 2-Methylpropyl2-[[methyl(2-methylpropoxy)phosphoryl]sulfanylmethylsulfanyl]acetate, 2-methylpropyl 2-[[methyl(2-methylpropoxy)phosphoryl]sulfanylmethylsulfanyl]acetate, ACETIC ACID, 2-(MERCAPTOMETHYLTHIO)-, ISOBUTYL ESTER, S-ESTER with O-ISOBUTYL ME
| Molecular Formula | C12H25O4PS2 |
|---|---|
| Molecular Weight | 328.09 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 103.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 328.0932 |
| Heavy Atoms | 19 |
| Complexity | 308.0 |
Chemical Identifiers
| CAS Number | 74789-30-3 |
|---|---|
| SMILES | CC(C)COC(=O)CSCSP(=O)(C)OCC(C)C |
| InChIKey | COZCQXZKDYIDOF-UHFFFAOYSA-N |
Product Overview
RefChem:1063859 (CAS 74789-30-3), with molecular formula C12H25O4PS2 and molecular weight 328.09 g/mol. IUPAC: 2-methylpropyl 2-[[methyl(2-methylpropoxy)phosphoryl]sulfanylmethylsulfanyl]acetate.
Chemical Property Profile of RefChem:1063859
Property Insights of RefChem:1063859
The XLogP value of 3.2 indicates that RefChem:1063859 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1063859. Following Lipinski's Rule of Five, RefChem:1063859 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 RefChem:1063859?
The CAS number of RefChem:1063859 is 74789-30-3.
What is the molecular formula of RefChem:1063859?
The molecular formula of RefChem:1063859 is C12H25O4PS2.
What is the molecular weight of RefChem:1063859?
The molecular weight of RefChem:1063859 is 328.09 g/mol.
Where can I buy RefChem:1063859?
You can request a quote for RefChem:1063859 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1063859?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1063859 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.