BAS 00284817
TL;DR: BAS 00284817 (CAS 321580-86-3) is a chemical compound with molecular formula C12H20N2O4S6 and molecular weight 447.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1,1-dioxothiolan-3-yl)-methylcarbamothioyl]sulfanyl N-(1,1-dioxothiolan-3-yl)-N-methylcarbamodithioate
Also Known As: BAS 00284817, 3-[({[(1,1-dioxidotetrahydrothiophen-3-yl)(methyl)carbamothioyl]disulfanyl}carbonothioyl)(methyl)amino]tetrahydrothiophene 1,1-dioxide, [(1,1-dioxothiolan-3-yl)-methylcarbamothioyl]sulfanyl N-(1,1-dioxothiolan-3-yl)-N-methylcarbamodithioate, 3-{[({[(1-hydroxy-1-oxothiolan-3-yl)methylamino]thioxomethyl}disulfanyl)thioxo methyl]methylamino}thiolane-1,1-dione, N-(1,1-dioxo-1$l^{6}-thiolan-3-yl)-N-methyl{[(1,1-dioxo-1$l^{6}-thiolan-3-yl)(methyl)carbamothioyl]disulfanyl}carbothioamide
| Molecular Formula | C12H20N2O4S6 |
|---|---|
| Molecular Weight | 447.97 g/mol |
| LogP | 1.1754 |
| Topological Polar Surface Area | 74.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 447.97473 |
| Heavy Atoms | 24 |
| Complexity | 657.83014 |
Chemical Identifiers
| CAS Number | 321580-86-3 |
|---|---|
| SMILES | CN(C1CCS(=O)(=O)C1)C(=S)SSC(=S)N(C)C2CCS(=O)(=O)C2 |
Product Overview
BAS 00284817 (CAS 321580-86-3), with molecular formula C12H20N2O4S6 and molecular weight 447.97 g/mol. IUPAC: [(1,1-dioxothiolan-3-yl)-methylcarbamothioyl]sulfanyl N-(1,1-dioxothiolan-3-yl)-N-methylcarbamodithioate.
Chemical Property Profile of BAS 00284817
Property Insights of BAS 00284817
The XLogP value of 1.1754 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00284817. The TPSA of 74.76 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00284817. Following Lipinski's Rule of Five, BAS 00284817 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 BAS 00284817?
The CAS number of BAS 00284817 is 321580-86-3.
What is the molecular formula of BAS 00284817?
The molecular formula of BAS 00284817 is C12H20N2O4S6.
What is the molecular weight of BAS 00284817?
The molecular weight of BAS 00284817 is 447.97 g/mol.
Where can I buy BAS 00284817?
You can request a quote for BAS 00284817 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00284817?
Yes, KEHONG BIO provides custom synthesis services for BAS 00284817 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.