BAS 00287844
TL;DR: BAS 00287844 (CAS 313526-18-0) is a chemical compound with molecular formula C15H18N2O4S and molecular weight 322.09872 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 4-(3-hydroxy-4-methoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
Also Known As: BAS 00287844, ethyl 6-(3-hydroxy-4-methoxyphenyl)-4-methyl-2-sulfanyl-1,6-dihydropyrimidine-5-carboxylate, ethyl 4-(3-hydroxy-4-methoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate, ethyl 4-(3-hydroxy-4-methoxyphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Technical Specifications
| Molecular Formula | C15H18N2O4S |
| Molecular Weight | 322.09872 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 112.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 322.09872 Da |
| Heavy Atoms | 22 |
| Complexity | 480.0 |
| SMILES | CCOC(=O)C1=C(NC(=S)NC1C2=CC(=C(C=C2)OC)O)C |
| InChIKey | NJICFSFGSZPETL-UHFFFAOYSA-N |
Chemical Property Profile of BAS 00287844
Property Insights of BAS 00287844
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00287844. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00287844. Following Lipinski's Rule of Five, BAS 00287844 has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of BAS 00287844?
The CAS number of BAS 00287844 is 313526-18-0.
What is the molecular formula of BAS 00287844?
The molecular formula of BAS 00287844 is C15H18N2O4S.
What is the molecular weight of BAS 00287844?
The molecular weight of BAS 00287844 is 322.09872 g/mol.
Where can I buy BAS 00287844?
You can request a quote for BAS 00287844 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for BAS 00287844?
Yes, CoreyChem provides custom synthesis services for BAS 00287844 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.