RefChem:1059975
TL;DR: RefChem:1059975 (CAS 76858-38-3) is a chemical compound with molecular formula C12H21N3O3S3 and molecular weight 351.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3,5,5-trimethyl-4-oxo-1,3-thiazolidin-2-ylidene)amino] N-(tert-butyldisulfanyl)-N-methylcarbamate
Also Known As: 2,4-Thiazolidinedione, 3,5,5-trimethyl-, 2-(O-((((1,1,-dimethylethyl)dithio)methylamino)carbonyl)oxime), RefChem:1059975
| Molecular Formula | C12H21N3O3S3 |
|---|---|
| Molecular Weight | 351.07 g/mol |
| LogP | 3.4045 |
| Topological Polar Surface Area | 62.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 351.0745 |
| Heavy Atoms | 21 |
| Complexity | 460.39935 |
Chemical Identifiers
| CAS Number | 76858-38-3 |
|---|---|
| SMILES | CC1(C(=O)N(C(=NOC(=O)N(C)SSC(C)(C)C)S1)C)C |
Product Overview
RefChem:1059975 (CAS 76858-38-3), with molecular formula C12H21N3O3S3 and molecular weight 351.07 g/mol. IUPAC: [(3,5,5-trimethyl-4-oxo-1,3-thiazolidin-2-ylidene)amino] N-(tert-butyldisulfanyl)-N-methylcarbamate.
Chemical Property Profile of RefChem:1059975
Property Insights of RefChem:1059975
The XLogP value of 3.4045 indicates that RefChem:1059975 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.21 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1059975. Following Lipinski's Rule of Five, RefChem:1059975 has 0 hydrogen bond donor(s) and 7 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:1059975?
The CAS number of RefChem:1059975 is 76858-38-3.
What is the molecular formula of RefChem:1059975?
The molecular formula of RefChem:1059975 is C12H21N3O3S3.
What is the molecular weight of RefChem:1059975?
The molecular weight of RefChem:1059975 is 351.07 g/mol.
Where can I buy RefChem:1059975?
You can request a quote for RefChem:1059975 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1059975?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1059975 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.