BAS 02287474
TL;DR: BAS 02287474 (CAS 351159-78-9) is a chemical compound with molecular formula C21H22N2O4S2 and molecular weight 430.1021 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-[[4-(4-methoxyphenyl)-3-oxo-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-5-yl]sulfanyl]acetate
Also Known As: BAS 02287474, AE-848/15341008, methyl {[3-(4-methoxyphenyl)-4-oxo-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetate, methyl 2-((3-(4-methoxyphenyl)-4-oxo-4,5,6,7,8,9-hexahydro-3H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetate, METHYL 2-{[3-(4-METHOXYPHENYL)-4-OXO-3,5,6,7,8,9-HEXAHYDRO-4H-CYCLOHEPTA[4,5]THIENO[2,3-D]PYRIMIDIN-2-YL]SULFANYL}ACETATE
Technical Specifications
| Molecular Formula | C21H22N2O4S2 |
| Molecular Weight | 430.1021 g/mol |
| XLogP | 5.1 |
| Topological Polar Surface Area (TPSA) | 122.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 430.1021 Da |
| Heavy Atoms | 29 |
| Complexity | 651.0 |
| SMILES | COC1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC(=O)OC)SC4=C3CCCCC4 |
| InChIKey | ORJXRQRJNSDOAS-UHFFFAOYSA-N |
Chemical Property Profile of BAS 02287474
Property Insights of BAS 02287474
The XLogP value of 5.1 indicates that BAS 02287474 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 122.0 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 02287474. Following Lipinski's Rule of Five, BAS 02287474 has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of BAS 02287474?
The CAS number of BAS 02287474 is 351159-78-9.
What is the molecular formula of BAS 02287474?
The molecular formula of BAS 02287474 is C21H22N2O4S2.
What is the molecular weight of BAS 02287474?
The molecular weight of BAS 02287474 is 430.1021 g/mol.
Where can I buy BAS 02287474?
You can request a quote for BAS 02287474 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for BAS 02287474?
Yes, CoreyChem provides custom synthesis services for BAS 02287474 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.