异丙嗪亚砜
TL;DR: 异丙嗪亚砜 (CAS 5346-81-6) is a chemical compound with molecular formula C18H23N2OS+ and molecular weight 315.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
异丙嗪亚砜
trimethyl-[1-(5-oxophenothiazin-10-yl)propan-2-yl]azanium
Also Known As: Thiazinamium sulfoxide, trimethyl-[1-(5-oxophenothiazin-10-yl)propan-2-yl]azanium, 10H-Phenothiazine-10-ethanaminium, N,N,N,alpha-tetramethyl-, 5-oxide, 10h-phenothiazine-10-ethanaminium, n,n,n,, A-tetramethyl-, 5-oxide
| Molecular Formula | C18H23N2OS+ |
|---|---|
| Molecular Weight | 315.15 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 50.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 315.1531 |
| Heavy Atoms | 22 |
| Complexity | 394.0 |
Chemical Identifiers
| CAS Number | 5346-81-6 |
|---|---|
| SMILES | CC(CN1C2=CC=CC=C2S(=O)C3=CC=CC=C31)[N+](C)(C)C |
| InChIKey | CRXUDZRTTXHYDL-UHFFFAOYSA-N |
Product Overview
异丙嗪亚砜 (CAS 5346-81-6), with molecular formula C18H23N2OS+ and molecular weight 315.15 g/mol. IUPAC: trimethyl-[1-(5-oxophenothiazin-10-yl)propan-2-yl]azanium.
Chemical Property Profile of 异丙嗪亚砜
Property Insights of 异丙嗪亚砜
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 异丙嗪亚砜. With a topological polar surface area (TPSA) of 50.2 Ų, 异丙嗪亚砜 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 异丙嗪亚砜 has 0 hydrogen bond donor(s) and 2 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 异丙嗪亚砜?
The CAS number of 异丙嗪亚砜 is 5346-81-6.
What is the molecular formula of 异丙嗪亚砜?
The molecular formula of 异丙嗪亚砜 is C18H23N2OS+.
What is the molecular weight of 异丙嗪亚砜?
The molecular weight of 异丙嗪亚砜 is 315.15 g/mol.
Where can I buy 异丙嗪亚砜?
You can request a quote for 异丙嗪亚砜 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 异丙嗪亚砜?
Yes, KEHONG BIO provides custom synthesis services for 异丙嗪亚砜 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.