RefChem:1057294
TL;DR: RefChem:1057294 (CAS 103535-81-5) is a chemical compound with molecular formula C25H27ClN2OS and molecular weight 438.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl-diethyl-(2-oxo-2-phenothiazin-10-ylethyl)azanium chloride
Also Known As: Benzyldiethyl(((10-phenothiazinyl)carbonyl)methyl)ammonium chloride, myo-inositol 2-posphate biscyclohexylammonium salt, AMMONIUM, BENZYLDIETHYL(((10-PHENOTHIAZINYL)CARBONYL)METHYL)-, CHLORIDE, 10H-Phenothiazine-10-ethanaminium,N,N-diethyl-b-oxo-N-(phenylmethyl)-,chloride (1:1), benzyl-diethyl-(2-oxo-2-phenothiazin-10-ylethyl)azanium chloride
| Molecular Formula | C25H27ClN2OS |
|---|---|
| Molecular Weight | 438.15 g/mol |
| LogP | 2.88 |
| Topological Polar Surface Area | 45.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 438.15326 |
| Heavy Atoms | 30 |
| Complexity | 521.0 |
Chemical Identifiers
| CAS Number | 103535-81-5 |
|---|---|
| SMILES | CC[N+](CC)(CC1=CC=CC=C1)CC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42.[Cl-] |
| InChIKey | NHYGCNQDTMCWFF-UHFFFAOYSA-M |
Product Overview
RefChem:1057294 (CAS 103535-81-5), with molecular formula C25H27ClN2OS and molecular weight 438.15 g/mol. IUPAC: benzyl-diethyl-(2-oxo-2-phenothiazin-10-ylethyl)azanium chloride.
Chemical Property Profile of RefChem:1057294
Property Insights of RefChem:1057294
The XLogP value of 2.88 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1057294. With a topological polar surface area (TPSA) of 45.6 Ų, RefChem:1057294 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1057294 has 0 hydrogen bond donor(s) and 3 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:1057294?
The CAS number of RefChem:1057294 is 103535-81-5.
What is the molecular formula of RefChem:1057294?
The molecular formula of RefChem:1057294 is C25H27ClN2OS.
What is the molecular weight of RefChem:1057294?
The molecular weight of RefChem:1057294 is 438.15 g/mol.
Where can I buy RefChem:1057294?
You can request a quote for RefChem:1057294 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1057294?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1057294 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.