RefChem:382613
TL;DR: RefChem:382613 (CAS 64036-96-0) is a chemical compound with molecular formula C16H17IN2O2S2 and molecular weight 459.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl-[2-(pyrido[3,2-b][1,4]benzothiazine-10-carbonyloxy)ethyl]sulfanium iodide
Also Known As: D 287, Sulfonium, dimethyl(2-((10H-pyrido(3,2-b)(1,4)benzothiazin-10-yl)carbonyloxy)ethyl)-, iodide, dimethyl-[2-(pyrido[3,2-b][1,4]benzothiazine-10-carbonyloxy)ethyl]sulfanium iodide, Dimethyl{2-[(10H-pyrido[3,2-b][1,4]benzothiazine-10-carbonyl)oxy]ethyl}sulfanium iodide, Sulfonium, dimethyl[2-[(10H-pyrido[3,2-b][1,4]benzoylthiazin-10-ylcarbonyl)oxy]methyl]-, iodide
| Molecular Formula | C16H17IN2O2S2 |
|---|---|
| Molecular Weight | 459.98 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 68.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 459.97763 |
| Heavy Atoms | 23 |
| Complexity | 394.0 |
Chemical Identifiers
| CAS Number | 64036-96-0 |
|---|---|
| SMILES | C[S+](C)CCOC(=O)N1C2=CC=CC=C2SC3=C1N=CC=C3.[I-] |
| InChIKey | DULGCNRYOIVFNY-UHFFFAOYSA-M |
Product Overview
RefChem:382613 (CAS 64036-96-0), with molecular formula C16H17IN2O2S2 and molecular weight 459.98 g/mol. IUPAC: dimethyl-[2-(pyrido[3,2-b][1,4]benzothiazine-10-carbonyloxy)ethyl]sulfanium iodide.
Chemical Property Profile of RefChem:382613
Property Insights of RefChem:382613
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:382613. The TPSA of 68.7 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:382613. Following Lipinski's Rule of Five, RefChem:382613 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:382613?
The CAS number of RefChem:382613 is 64036-96-0.
What is the molecular formula of RefChem:382613?
The molecular formula of RefChem:382613 is C16H17IN2O2S2.
What is the molecular weight of RefChem:382613?
The molecular weight of RefChem:382613 is 459.98 g/mol.
Where can I buy RefChem:382613?
You can request a quote for RefChem:382613 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:382613?
Yes, KEHONG BIO provides custom synthesis services for RefChem:382613 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.