BAS 00836854
TL;DR: BAS 00836854 (CAS 302559-68-8) is a chemical compound with molecular formula C18H19N3O3S2 and molecular weight 389.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(5Z)-4-oxo-5-(2-oxo-1-pentylindol-3-ylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]acetamide
Also Known As: BAS 00836854, BIM-0032171.P001, AF-399/11786027, N-[(5Z)-4-oxo-5-(2-oxo-1-pentylindol-3-ylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]acetamide, N-[4-oxo-5-(2-oxo-1-pentyl-1,2-dihydro-3H-indol-3-ylidene)-2-thioxo-1,3-thiazolidin-3-yl]acetamide
| Molecular Formula | C18H19N3O3S2 |
|---|---|
| Molecular Weight | 389.09 g/mol |
| LogP | 2.8459 |
| Topological Polar Surface Area | 69.72 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 389.0868 |
| Heavy Atoms | 26 |
| Complexity | 834.72516 |
Chemical Identifiers
| CAS Number | 302559-68-8 |
|---|---|
| SMILES | CCCCCN1C2=CC=CC=C2/C(=C/3\C(=O)N(C(=S)S3)NC(=O)C)/C1=O |
Product Overview
BAS 00836854 (CAS 302559-68-8), with molecular formula C18H19N3O3S2 and molecular weight 389.09 g/mol. IUPAC: N-[(5Z)-4-oxo-5-(2-oxo-1-pentylindol-3-ylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]acetamide.
Chemical Property Profile of BAS 00836854
Property Insights of BAS 00836854
The XLogP value of 2.8459 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00836854. The TPSA of 69.72 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00836854. Following Lipinski's Rule of Five, BAS 00836854 has 1 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 BAS 00836854?
The CAS number of BAS 00836854 is 302559-68-8.
What is the molecular formula of BAS 00836854?
The molecular formula of BAS 00836854 is C18H19N3O3S2.
What is the molecular weight of BAS 00836854?
The molecular weight of BAS 00836854 is 389.09 g/mol.
Where can I buy BAS 00836854?
You can request a quote for BAS 00836854 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00836854?
Yes, KEHONG BIO provides custom synthesis services for BAS 00836854 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.