RefChem:318718
TL;DR: RefChem:318718 (CAS 66827-20-1) is a chemical compound with molecular formula C23H27N3O3S2 and molecular weight 457.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzenesulfonate;trimethyl(2-pyrido[3,2-b][1,4]benzothiazin-10-ylpropyl)azanium
Also Known As: D 272, Ammonium, (2-(10H-pyrido(3,2-b)(1,4)benzothiazin-10-yl)propyl)trimethyl-, benzenesulfonate, benzenesulfonate; trimethyl(2-pyrido[3,2-b][1,4]benzothiazin-10-ylpropyl)azanium, 10H-Pyrido[3,2-b][1,4]benzothiazine-10-ethanaminium, N,N,N,.beta.-tetramethyl-, benzenesulfonate, N,N,N-trimethyl-2-(10H-pyrido[3,2-b][1,4]benzothiazin-10-yl)propan-1-aminium benzenesulfonate
| Molecular Formula | C23H27N3O3S2 |
|---|---|
| Molecular Weight | 457.15 g/mol |
| LogP | 4.37 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 457.14938 |
| Heavy Atoms | 31 |
| Complexity | 525.0 |
Chemical Identifiers
| CAS Number | 66827-20-1 |
|---|---|
| SMILES | CC(C[N+](C)(C)C)N1C2=CC=CC=C2SC3=C1N=CC=C3.C1=CC=C(C=C1)S(=O)(=O)[O-] |
| InChIKey | BEVGQIJCLIQRRX-UHFFFAOYSA-M |
Product Overview
RefChem:318718 (CAS 66827-20-1), with molecular formula C23H27N3O3S2 and molecular weight 457.15 g/mol. IUPAC: benzenesulfonate;trimethyl(2-pyrido[3,2-b][1,4]benzothiazin-10-ylpropyl)azanium.
Chemical Property Profile of RefChem:318718
Property Insights of RefChem:318718
The XLogP value of 4.37 indicates that RefChem:318718 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:318718. Following Lipinski's Rule of Five, RefChem:318718 has 0 hydrogen bond donor(s) and 6 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:318718?
The CAS number of RefChem:318718 is 66827-20-1.
What is the molecular formula of RefChem:318718?
The molecular formula of RefChem:318718 is C23H27N3O3S2.
What is the molecular weight of RefChem:318718?
The molecular weight of RefChem:318718 is 457.15 g/mol.
Where can I buy RefChem:318718?
You can request a quote for RefChem:318718 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:318718?
Yes, KEHONG BIO provides custom synthesis services for RefChem:318718 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.