BAS 00836856
TL;DR: BAS 00836856 (CAS 304893-31-0) is a chemical compound with molecular formula C20H23N3O3S2 and molecular weight 417.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(5Z)-5-(1-heptyl-2-oxoindol-3-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetamide
Also Known As: BAS 00836856, N-[(5Z)-5-(1-heptyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetamide, (Z)-N-(5-(1-heptyl-2-oxoindolin-3-ylidene)-4-oxo-2-thioxothiazolidin-3-yl)acetamide, N-[(5Z)-5-(1-heptyl-2-oxoindol-3-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetamide, N-[5-(1-heptyl-2-oxobenzo[d]azolidin-3-ylidene)-4-oxo-2-thioxo-1,3-thiazolidin -3-yl]acetamide
| Molecular Formula | C20H23N3O3S2 |
|---|---|
| Molecular Weight | 417.12 g/mol |
| LogP | 3.6261 |
| Topological Polar Surface Area | 69.72 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 417.11807 |
| Heavy Atoms | 28 |
| Complexity | 866.00684 |
Chemical Identifiers
| CAS Number | 304893-31-0 |
|---|---|
| SMILES | CCCCCCCN1C2=CC=CC=C2/C(=C/3\C(=O)N(C(=S)S3)NC(=O)C)/C1=O |
Product Overview
BAS 00836856 (CAS 304893-31-0), with molecular formula C20H23N3O3S2 and molecular weight 417.12 g/mol. IUPAC: N-[(5Z)-5-(1-heptyl-2-oxoindol-3-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetamide.
Chemical Property Profile of BAS 00836856
Property Insights of BAS 00836856
The XLogP value of 3.6261 indicates that BAS 00836856 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.72 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00836856. Following Lipinski's Rule of Five, BAS 00836856 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 00836856?
The CAS number of BAS 00836856 is 304893-31-0.
What is the molecular formula of BAS 00836856?
The molecular formula of BAS 00836856 is C20H23N3O3S2.
What is the molecular weight of BAS 00836856?
The molecular weight of BAS 00836856 is 417.12 g/mol.
Where can I buy BAS 00836856?
You can request a quote for BAS 00836856 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00836856?
Yes, KEHONG BIO provides custom synthesis services for BAS 00836856 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.