Quat-dtz
TL;DR: Quat-dtz (CAS 147511-30-6) is a chemical compound with molecular formula C23H29IN2O4S and molecular weight 556.0893 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(2S,3S)-3-acetyloxy-2-(4-ethoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]-ethyl-dimethylazanium iodide
Also Known As: Quat-dtz, 3-(Acetyloxy)-5-(2-(trimethylammonium)ethyl)-2,3-dihydro-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one, 1,5-Benzothiazepine-5(2H)-ethanaminium, 3-(acetyloxy)-3,4-dihydro-2-(4-methoxyphenyl)-N,N,N-trimethyl-4-oxo-, iodide, (2S-cis)-, (2S,3S)-3-(Acetyloxy)-2-(4-ethoxyphenyl)-N-ethyl-N,N-dimethyl-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-aminium iodide, [(2S,3S)-3-acetyloxy-2-(4-ethoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]-ethyl-dimethylazanium iodide
Technical Specifications
| Molecular Formula | C23H29IN2O4S |
| Molecular Weight | 556.0893 g/mol |
| XLogP | 1.2123 |
| Topological Polar Surface Area (TPSA) | 81.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 556.0893 Da |
| Heavy Atoms | 31 |
| Complexity | 606.0 |
| SMILES | CC[N+](C)(C)N1C2=CC=CC=C2S[C@H]([C@H](C1=O)OC(=O)C)C3=CC=C(C=C3)OCC.[I-] |
| InChIKey | BEDWQXMBYGXHSO-NSLUPJTDSA-M |
Chemical Property Profile of Quat-dtz
Property Insights of Quat-dtz
The XLogP value of 1.2123 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Quat-dtz. The TPSA of 81.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Quat-dtz. Following Lipinski's Rule of Five, Quat-dtz has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Quat-dtz?
The CAS number of Quat-dtz is 147511-30-6.
What is the molecular formula of Quat-dtz?
The molecular formula of Quat-dtz is C23H29IN2O4S.
What is the molecular weight of Quat-dtz?
The molecular weight of Quat-dtz is 556.0893 g/mol.
Where can I buy Quat-dtz?
You can request a quote for Quat-dtz directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Quat-dtz?
Yes, CoreyChem provides custom synthesis services for Quat-dtz and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.