BAS 00909198
TL;DR: BAS 00909198 (CAS 301692-25-1) is a chemical compound with molecular formula C21H16N4O5S2 and molecular weight 468.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(3Z)-2-oxo-3-[4-oxo-3-(pyridine-3-carbonylamino)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]indol-1-yl]acetate
Also Known As: BAS 00909198, ethyl 2-[(3Z)-2-oxo-3-[4-oxo-3-(pyridine-3-carbonylamino)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]indol-1-yl]acetate, A2195/0092331, (2-Oxo-3-{4-oxo-3-[(pyridine-3-carbonyl)-amino]-2-thioxo-thiazolidin-5-ylidene}-2,3-dihydro-indol-1-yl)-acetic acid ethyl ester, (Z)-ethyl 2-(3-(3-(nicotinamido)-4-oxo-2-thioxothiazolidin-5-ylidene)-2-oxoindolin-1-yl)acetate
| Molecular Formula | C21H16N4O5S2 |
|---|---|
| Molecular Weight | 468.06 g/mol |
| LogP | 1.9077 |
| Topological Polar Surface Area | 108.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 468.0562 |
| Heavy Atoms | 32 |
| Complexity | 1181.7223 |
Chemical Identifiers
| CAS Number | 301692-25-1 |
|---|---|
| SMILES | CCOC(=O)CN1C2=CC=CC=C2/C(=C/3\C(=O)N(C(=S)S3)NC(=O)C4=CN=CC=C4)/C1=O |
Product Overview
BAS 00909198 (CAS 301692-25-1), with molecular formula C21H16N4O5S2 and molecular weight 468.06 g/mol. IUPAC: ethyl 2-[(3Z)-2-oxo-3-[4-oxo-3-(pyridine-3-carbonylamino)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]indol-1-yl]acetate.
Chemical Property Profile of BAS 00909198
Property Insights of BAS 00909198
The XLogP value of 1.9077 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00909198. The TPSA of 108.91 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00909198. Following Lipinski's Rule of Five, BAS 00909198 has 1 hydrogen bond donor(s) and 8 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 00909198?
The CAS number of BAS 00909198 is 301692-25-1.
What is the molecular formula of BAS 00909198?
The molecular formula of BAS 00909198 is C21H16N4O5S2.
What is the molecular weight of BAS 00909198?
The molecular weight of BAS 00909198 is 468.06 g/mol.
Where can I buy BAS 00909198?
You can request a quote for BAS 00909198 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00909198?
Yes, KEHONG BIO provides custom synthesis services for BAS 00909198 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.