ChemDiv3_006863
TL;DR: ChemDiv3_006863 (CAS 507255-08-5) is a chemical compound with molecular formula C13H16N2O2S3 and molecular weight 328.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[3-(dimethylamino)phenyl]-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazole-2-thione
Also Known As: ChemDiv3_006863, IDI1_024773, 3-[3-(dimethylamino)phenyl]tetrahydrothieno[3,4-d][1,3]thiazole-2(3H)-thione 5,5-dioxide, BRD-A21302564-001-01-8, 3-(3-(dimethylamino)phenyl)tetrahydrothieno[3,4-d]thiazole-2(3H)-thione 5,5-dioxide
| Molecular Formula | C13H16N2O2S3 |
|---|---|
| Molecular Weight | 328.04 g/mol |
| LogP | 1.7563 |
| Topological Polar Surface Area | 40.62 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 328.03738 |
| Heavy Atoms | 20 |
| Complexity | 657.335 |
Chemical Identifiers
| CAS Number | 507255-08-5 |
|---|---|
| SMILES | CN(C)C1=CC=CC(=C1)N2C3CS(=O)(=O)CC3SC2=S |
Product Overview
ChemDiv3_006863 (CAS 507255-08-5), with molecular formula C13H16N2O2S3 and molecular weight 328.04 g/mol. IUPAC: 3-[3-(dimethylamino)phenyl]-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazole-2-thione.
Chemical Property Profile of ChemDiv3_006863
Property Insights of ChemDiv3_006863
The XLogP value of 1.7563 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv3_006863. With a topological polar surface area (TPSA) of 40.62 Ų, ChemDiv3_006863 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv3_006863 has 0 hydrogen bond donor(s) and 5 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 ChemDiv3_006863?
The CAS number of ChemDiv3_006863 is 507255-08-5.
What is the molecular formula of ChemDiv3_006863?
The molecular formula of ChemDiv3_006863 is C13H16N2O2S3.
What is the molecular weight of ChemDiv3_006863?
The molecular weight of ChemDiv3_006863 is 328.04 g/mol.
Where can I buy ChemDiv3_006863?
You can request a quote for ChemDiv3_006863 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_006863?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_006863 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.