BAS 00840888
TL;DR: BAS 00840888 (CAS 301309-44-4) is a chemical compound with molecular formula C19H13BrN2O3S and molecular weight 427.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-3-benzyl-5-(5-bromo-1-methyl-2-oxoindol-3-ylidene)-1,3-thiazolidine-2,4-dione
Also Known As: BAS 00840888, AE-641/11953087, (5Z)-3-benzyl-5-(5-bromo-1-methyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-1,3-thiazolidine-2,4-dione, 3-benzyl-5-[(3Z)-5-bromo-1-methyl-2-oxo-2,3-dihydro-1H-indol-3-ylidene]-1,3-thiazolidine-2,4-dione, (5Z)-3-benzyl-5-(5-bromo-1-methyl-2-oxoindol-3-ylidene)-1,3-thiazolidine-2,4-dione
| Molecular Formula | C19H13BrN2O3S |
|---|---|
| Molecular Weight | 427.98 g/mol |
| LogP | 4.0322 |
| Topological Polar Surface Area | 57.69 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 427.98303 |
| Heavy Atoms | 26 |
| Complexity | 987.5337 |
Chemical Identifiers
| CAS Number | 301309-44-4 |
|---|---|
| SMILES | CN1C2=C(C=C(C=C2)Br)/C(=C/3\C(=O)N(C(=O)S3)CC4=CC=CC=C4)/C1=O |
Product Overview
BAS 00840888 (CAS 301309-44-4), with molecular formula C19H13BrN2O3S and molecular weight 427.98 g/mol. IUPAC: (5Z)-3-benzyl-5-(5-bromo-1-methyl-2-oxoindol-3-ylidene)-1,3-thiazolidine-2,4-dione.
Chemical Property Profile of BAS 00840888
Property Insights of BAS 00840888
The XLogP value of 4.0322 indicates that BAS 00840888 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.69 Ų, BAS 00840888 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00840888 has 0 hydrogen bond donor(s) and 4 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 00840888?
The CAS number of BAS 00840888 is 301309-44-4.
What is the molecular formula of BAS 00840888?
The molecular formula of BAS 00840888 is C19H13BrN2O3S.
What is the molecular weight of BAS 00840888?
The molecular weight of BAS 00840888 is 427.98 g/mol.
Where can I buy BAS 00840888?
You can request a quote for BAS 00840888 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00840888?
Yes, KEHONG BIO provides custom synthesis services for BAS 00840888 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.