RefChem:330869
TL;DR: RefChem:330869 (CAS 102688-90-4) is a chemical compound with molecular formula C17H23BrN4O3S and molecular weight 442.0674 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-carboxypropyl-(4-methoxy-7,7-dimethyl-6,8-dihydropyrimido[4,5-b][1,4]benzothiazin-9-yl)azanium bromide
Also Known As: Butanoic acid, 4-((7,8-dihydro-7,7-dimethyl-4-methoxy-6H-pyrimido(4,5-b)(1,4)benzothiazin-9-yl)amino)-, monohydrobromide, (4-hydroxy-4-oxobutyl)-(4-methoxy-7,7-dimethyl-6,8-dihydropyrimido[4,5-b][1,4]benzothiazin-9-yl)azanium bromide, BUTANOIC ACID, 4-((7,8-DIHYDRO-7,7-DIMETHYL-4-METHOXY-6H-PYRIMIDO(4,5-b)(1,4)BEN, n-(3-carboxypropyl)-4-methoxy-7,7-dimethyl-7,8-dihydro-6h-pyrimido[4,5-b][1,4]benzothiazin-9-aminium bromide
Technical Specifications
| Molecular Formula | C17H23BrN4O3S |
| Molecular Weight | 442.0674 g/mol |
| XLogP | -0.87 |
| Topological Polar Surface Area (TPSA) | 127.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 442.0674 Da |
| Heavy Atoms | 26 |
| Complexity | 590.0 |
| SMILES | CC1(CC(=C2C(=NC3=C(N=CN=C3S2)OC)C1)[NH2+]CCCC(=O)O)C.[Br-] |
| InChIKey | WCGVXUQJUMBOFI-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:330869
Property Insights of RefChem:330869
The XLogP value of -0.87 indicates that RefChem:330869 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:330869. Following Lipinski's Rule of Five, RefChem:330869 has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of RefChem:330869?
The CAS number of RefChem:330869 is 102688-90-4.
What is the molecular formula of RefChem:330869?
The molecular formula of RefChem:330869 is C17H23BrN4O3S.
What is the molecular weight of RefChem:330869?
The molecular weight of RefChem:330869 is 442.0674 g/mol.
Where can I buy RefChem:330869?
You can request a quote for RefChem:330869 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:330869?
Yes, CoreyChem provides custom synthesis services for RefChem:330869 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.