BAS 00281742
TL;DR: BAS 00281742 (CAS 330569-59-0) is a chemical compound with molecular formula C13H9N3O4S2 and molecular weight 335.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-5-(1,7-dimethyl-5-nitro-2-oxoindol-3-ylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: BAS 00281742, AB00075840-01, (5Z)-5-(1,7-dimethyl-5-nitro-2-oxoindol-3-ylidene)-2-sulfanylidene-1,3-thiazolidin-4-one, (Z)-5-(1,7-dimethyl-5-nitro-2-oxoindolin-3-ylidene)-2-thioxothiazolidin-4-one, (3Z)-1,7-dimethyl-5-nitro-3-(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)-1,3-dihydro-2H-indol-2-one
| Molecular Formula | C13H9N3O4S2 |
|---|---|
| Molecular Weight | 335.00 g/mol |
| LogP | 1.73862 |
| Topological Polar Surface Area | 92.55 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 335.00345 |
| Heavy Atoms | 22 |
| Complexity | 815.7484 |
Chemical Identifiers
| CAS Number | 330569-59-0 |
|---|---|
| SMILES | CC1=CC(=CC\2=C1N(C(=O)/C2=C\3/C(=O)NC(=S)S3)C)[N+](=O)[O-] |
Product Overview
BAS 00281742 (CAS 330569-59-0), with molecular formula C13H9N3O4S2 and molecular weight 335.00 g/mol. IUPAC: (5Z)-5-(1,7-dimethyl-5-nitro-2-oxoindol-3-ylidene)-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of BAS 00281742
Property Insights of BAS 00281742
The XLogP value of 1.73862 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00281742. The TPSA of 92.55 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00281742. Following Lipinski's Rule of Five, BAS 00281742 has 1 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 00281742?
The CAS number of BAS 00281742 is 330569-59-0.
What is the molecular formula of BAS 00281742?
The molecular formula of BAS 00281742 is C13H9N3O4S2.
What is the molecular weight of BAS 00281742?
The molecular weight of BAS 00281742 is 335.00 g/mol.
Where can I buy BAS 00281742?
You can request a quote for BAS 00281742 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00281742?
Yes, KEHONG BIO provides custom synthesis services for BAS 00281742 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.