BAS 02613490
TL;DR: BAS 02613490 (CAS 335207-76-6) is a chemical compound with molecular formula C16H12N2O2S and molecular weight 296.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-3-methyl-5-[(1-prop-2-ynylindol-3-yl)methylidene]-1,3-thiazolidine-2,4-dione
Also Known As: BAS 02613490, (5Z)-3-methyl-5-[(1-prop-2-ynylindol-3-yl)methylidene]-1,3-thiazolidine-2,4-dione, (5Z)-3-methyl-5-{[1-(prop-2-yn-1-yl)-1H-indol-3-yl]methylidene}-1,3-thiazolidine-2,4-dione, 3-Methyl-5-(1-prop-2-ynyl-1H-indol-3-ylmethylene)-thiazolidine-2,4-dione
| Molecular Formula | C16H12N2O2S |
|---|---|
| Molecular Weight | 296.06 g/mol |
| LogP | 2.9406 |
| Topological Polar Surface Area | 42.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 296.06195 |
| Heavy Atoms | 21 |
| Complexity | 826.40485 |
Chemical Identifiers
| CAS Number | 335207-76-6 |
|---|---|
| SMILES | CN1C(=O)/C(=C/C2=CN(C3=CC=CC=C32)CC#C)/SC1=O |
Product Overview
BAS 02613490 (CAS 335207-76-6), with molecular formula C16H12N2O2S and molecular weight 296.06 g/mol. IUPAC: (5Z)-3-methyl-5-[(1-prop-2-ynylindol-3-yl)methylidene]-1,3-thiazolidine-2,4-dione.
Chemical Property Profile of BAS 02613490
Property Insights of BAS 02613490
The XLogP value of 2.9406 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 02613490. With a topological polar surface area (TPSA) of 42.31 Ų, BAS 02613490 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 02613490 has 0 hydrogen bond donor(s) and 3 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 02613490?
The CAS number of BAS 02613490 is 335207-76-6.
What is the molecular formula of BAS 02613490?
The molecular formula of BAS 02613490 is C16H12N2O2S.
What is the molecular weight of BAS 02613490?
The molecular weight of BAS 02613490 is 296.06 g/mol.
Where can I buy BAS 02613490?
You can request a quote for BAS 02613490 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02613490?
Yes, KEHONG BIO provides custom synthesis services for BAS 02613490 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.