RefChem:319293
TL;DR: RefChem:319293 (CAS 63977-43-5) is a chemical compound with molecular formula C21H28IN3O2S and molecular weight 513.0947 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl-di(propan-2-yl)-(6H-pyrido[3,2-b][1,4]benzothiazepine-5-carbonyloxymethyl)azanium iodide
Also Known As: D 731, Ammonium, diisopropylmethyl(2-(10H-pyrido(3,2-b)(1,4)benzothiazin-10-yl)carbonyloxyethyl)-, iodide, n-methyl-n-(propan-2-yl)-n-{[(pyrido[3,2-b][1,4]benzothiazepin-11(10h)-ylcarbonyl)oxy]methyl}propan-2-aminium iodide, methyl-di(propan-2-yl)-(6H-pyrido[3,2-b][1,4]benzothiazepine-5-carbonyloxymethyl)azanium iodide, N-Methyl-N-(propan-2-yl)-N-{[(pyrido[3,2-b][1,4]benzothiazepine-11(10H)-carbonyl)oxy]methyl}propan-2-aminium iodide
Technical Specifications
| Molecular Formula | C21H28IN3O2S |
| Molecular Weight | 513.0947 g/mol |
| XLogP | 1.91 |
| Topological Polar Surface Area (TPSA) | 67.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 513.0947 Da |
| Heavy Atoms | 28 |
| Complexity | 506.0 |
| SMILES | CC(C)[N+](C)(COC(=O)N1CC2=CC=CC=C2SC3=C1N=CC=C3)C(C)C.[I-] |
| InChIKey | SLBDNGUCWJVICB-UHFFFAOYSA-M |
Chemical Property Profile of RefChem:319293
Property Insights of RefChem:319293
The XLogP value of 1.91 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:319293. The TPSA of 67.7 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:319293. Following Lipinski's Rule of Five, RefChem:319293 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of RefChem:319293?
The CAS number of RefChem:319293 is 63977-43-5.
What is the molecular formula of RefChem:319293?
The molecular formula of RefChem:319293 is C21H28IN3O2S.
What is the molecular weight of RefChem:319293?
The molecular weight of RefChem:319293 is 513.0947 g/mol.
Where can I buy RefChem:319293?
You can request a quote for RefChem:319293 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:319293?
Yes, CoreyChem provides custom synthesis services for RefChem:319293 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.