BAS 00669246
TL;DR: BAS 00669246 (CAS 54968-59-1) is a chemical compound with molecular formula C14H16N2O3S2 and molecular weight 324.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetate
Also Known As: BAS 00669246, BIM-0029939.P001, J1.442.142D, AB00684134-01, ethyl [(4-hydroxy-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetate
| Molecular Formula | C14H16N2O3S2 |
|---|---|
| Molecular Weight | 324.06 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 324.06024 |
| Heavy Atoms | 21 |
| Complexity | 469.0 |
Chemical Identifiers
| CAS Number | 54968-59-1 |
|---|---|
| SMILES | CCOC(=O)CSC1=NC2=C(C3=C(S2)CCCC3)C(=O)N1 |
| InChIKey | PWDOBWRTZNVNCZ-UHFFFAOYSA-N |
Product Overview
BAS 00669246 (CAS 54968-59-1), with molecular formula C14H16N2O3S2 and molecular weight 324.06 g/mol. IUPAC: ethyl 2-[(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetate.
Chemical Property Profile of BAS 00669246
Property Insights of BAS 00669246
The XLogP value of 3.2 indicates that BAS 00669246 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00669246. Following Lipinski's Rule of Five, BAS 00669246 has 1 hydrogen bond donor(s) and 6 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 00669246?
The CAS number of BAS 00669246 is 54968-59-1.
What is the molecular formula of BAS 00669246?
The molecular formula of BAS 00669246 is C14H16N2O3S2.
What is the molecular weight of BAS 00669246?
The molecular weight of BAS 00669246 is 324.06 g/mol.
Where can I buy BAS 00669246?
You can request a quote for BAS 00669246 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00669246?
Yes, KEHONG BIO provides custom synthesis services for BAS 00669246 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.