BAS 00777136
TL;DR: BAS 00777136 (CAS 313965-83-2) is a chemical compound with molecular formula C20H17NO4S3 and molecular weight 431.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-3-(1,1-dioxothiolan-3-yl)-5-[(3-phenoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: BAS 00777136, (5Z)-3-(1,1-dioxidotetrahydrothiophen-3-yl)-5-(3-phenoxybenzylidene)-2-thioxo-1,3-thiazolidin-4-one, (5Z)-3-(1,1-dioxothiolan-3-yl)-5-[(3-phenoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one, (Z)-3-(1,1-dioxidotetrahydrothiophen-3-yl)-5-(3-phenoxybenzylidene)-2-thioxothiazolidin-4-one, 3-[(5Z)-4-OXO-5-[(3-PHENOXYPHENYL)METHYLIDENE]-2-SULFANYLIDENE-13-THIAZOLIDIN-3-YL]-1LAMBDA6-THIOLANE-11-DIONE
| Molecular Formula | C20H17NO4S3 |
|---|---|
| Molecular Weight | 431.03 g/mol |
| LogP | 3.8672 |
| Topological Polar Surface Area | 63.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 431.03198 |
| Heavy Atoms | 28 |
| Complexity | 1063.8682 |
Chemical Identifiers
| CAS Number | 313965-83-2 |
|---|---|
| SMILES | C1CS(=O)(=O)CC1N2C(=O)/C(=C/C3=CC(=CC=C3)OC4=CC=CC=C4)/SC2=S |
Product Overview
BAS 00777136 (CAS 313965-83-2), with molecular formula C20H17NO4S3 and molecular weight 431.03 g/mol. IUPAC: (5Z)-3-(1,1-dioxothiolan-3-yl)-5-[(3-phenoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of BAS 00777136
Property Insights of BAS 00777136
The XLogP value of 3.8672 indicates that BAS 00777136 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.68 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00777136. Following Lipinski's Rule of Five, BAS 00777136 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 00777136?
The CAS number of BAS 00777136 is 313965-83-2.
What is the molecular formula of BAS 00777136?
The molecular formula of BAS 00777136 is C20H17NO4S3.
What is the molecular weight of BAS 00777136?
The molecular weight of BAS 00777136 is 431.03 g/mol.
Where can I buy BAS 00777136?
You can request a quote for BAS 00777136 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00777136?
Yes, KEHONG BIO provides custom synthesis services for BAS 00777136 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.