BAS 02866994
TL;DR: BAS 02866994 (CAS 1093412-76-0) is a chemical compound with molecular formula C22H21N3O6S and molecular weight 455.1151 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 4-[[2-[3-(1,3-benzodioxol-5-ylmethyl)-1-methyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate
Also Known As: BAS 02866994, methyl 4-[[2-[3-(1,3-benzodioxol-5-ylmethyl)-1-methyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate, methyl 4-({[3-(1,3-benzodioxol-5-ylmethyl)-1-methyl-5-oxo-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate, methyl 4-(2-(3-(benzo[d][1,3]dioxol-5-ylmethyl)-1-methyl-5-oxo-2-thioxoimidazolidin-4-yl)acetamido)benzoate, METHYL 4-(2-{3-[(2H-1,3-BENZODIOXOL-5-YL)METHYL]-1-METHYL-5-OXO-2-SULFANYLIDENEIMIDAZOLIDIN-4-YL}ACETAMIDO)BENZOATE
Technical Specifications
| Molecular Formula | C22H21N3O6S |
| Molecular Weight | 455.1151 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 130.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 455.1151 Da |
| Heavy Atoms | 32 |
| Complexity | 756.0 |
| SMILES | CN1C(=O)C(N(C1=S)CC2=CC3=C(C=C2)OCO3)CC(=O)NC4=CC=C(C=C4)C(=O)OC |
| InChIKey | GYPUBUVQSFOMFE-UHFFFAOYSA-N |
Chemical Property Profile of BAS 02866994
Property Insights of BAS 02866994
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 02866994. The TPSA of 130.0 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 02866994. Following Lipinski's Rule of Five, BAS 02866994 has 1 hydrogen bond donor(s) and 7 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 02866994?
The CAS number of BAS 02866994 is 1093412-76-0.
What is the molecular formula of BAS 02866994?
The molecular formula of BAS 02866994 is C22H21N3O6S.
What is the molecular weight of BAS 02866994?
The molecular weight of BAS 02866994 is 455.1151 g/mol.
Where can I buy BAS 02866994?
You can request a quote for BAS 02866994 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for BAS 02866994?
Yes, CoreyChem provides custom synthesis services for BAS 02866994 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.