BAS 01313820
TL;DR: BAS 01313820 (CAS 337489-75-5) is a chemical compound with molecular formula C14H12N2O4S2 and molecular weight 336.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1,3-dioxoisoindol-2-yl)methyl 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetate
Also Known As: BAS 01313820, BIM-0048523.P001, (1,3-dioxoisoindolin-2-yl)methyl 2-((4,5-dihydrothiazol-2-yl)thio)acetate, (1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl (4,5-dihydro-1,3-thiazol-2-ylthio)acetate, (1,3-dioxoisoindol-2-yl)methyl 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetate
| Molecular Formula | C14H12N2O4S2 |
|---|---|
| Molecular Weight | 336.02 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 127.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 336.02383 |
| Heavy Atoms | 22 |
| Complexity | 499.0 |
Chemical Identifiers
| CAS Number | 337489-75-5 |
|---|---|
| SMILES | C1CSC(=N1)SCC(=O)OCN2C(=O)C3=CC=CC=C3C2=O |
| InChIKey | NAYMYIKUPKSSFI-UHFFFAOYSA-N |
Product Overview
BAS 01313820 (CAS 337489-75-5), with molecular formula C14H12N2O4S2 and molecular weight 336.02 g/mol. IUPAC: (1,3-dioxoisoindol-2-yl)methyl 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetate.
Chemical Property Profile of BAS 01313820
Property Insights of BAS 01313820
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 01313820. The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01313820. Following Lipinski's Rule of Five, BAS 01313820 has 0 hydrogen bond donor(s) and 7 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 01313820?
The CAS number of BAS 01313820 is 337489-75-5.
What is the molecular formula of BAS 01313820?
The molecular formula of BAS 01313820 is C14H12N2O4S2.
What is the molecular weight of BAS 01313820?
The molecular weight of BAS 01313820 is 336.02 g/mol.
Where can I buy BAS 01313820?
You can request a quote for BAS 01313820 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01313820?
Yes, KEHONG BIO provides custom synthesis services for BAS 01313820 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.