BAS 00159069
TL;DR: BAS 00159069 (CAS 328071-49-4) is a chemical compound with molecular formula C9H13NO4S4 and molecular weight 326.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,1-dioxothiolan-3-yl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazole-2-thione
Also Known As: BAS 00159069, 3-(1,1-dioxidotetrahydro-3-thienyl)tetrahydrothieno[3,4-d][1,3]thiazole-2(3H)-thione 5,5-dioxide, BRD-A39840428-001-01-3, 3-(1,1-dioxothiolan-3-yl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazole-2-thione, 3-(1,1-dioxidotetrahydrothiophen-3-yl)tetrahydrothieno[3,4-d][1,3]thiazole-2(3H)-thione 5,5-dioxide
| Molecular Formula | C9H13NO4S4 |
|---|---|
| Molecular Weight | 326.97 g/mol |
| LogP | -0.3272 |
| Topological Polar Surface Area | 71.52 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 326.97275 |
| Heavy Atoms | 18 |
| Complexity | 596.0572 |
Chemical Identifiers
| CAS Number | 328071-49-4 |
|---|---|
| SMILES | C1CS(=O)(=O)CC1N2C3CS(=O)(=O)CC3SC2=S |
Product Overview
BAS 00159069 (CAS 328071-49-4), with molecular formula C9H13NO4S4 and molecular weight 326.97 g/mol. IUPAC: 3-(1,1-dioxothiolan-3-yl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazole-2-thione.
Chemical Property Profile of BAS 00159069
Property Insights of BAS 00159069
The XLogP value of -0.3272 indicates that BAS 00159069 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 71.52 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00159069. Following Lipinski's Rule of Five, BAS 00159069 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 BAS 00159069?
The CAS number of BAS 00159069 is 328071-49-4.
What is the molecular formula of BAS 00159069?
The molecular formula of BAS 00159069 is C9H13NO4S4.
What is the molecular weight of BAS 00159069?
The molecular weight of BAS 00159069 is 326.97 g/mol.
Where can I buy BAS 00159069?
You can request a quote for BAS 00159069 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00159069?
Yes, KEHONG BIO provides custom synthesis services for BAS 00159069 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.