RefChem:318835
TL;DR: RefChem:318835 (CAS 66827-26-7) is a chemical compound with molecular formula C24H29N3O3S2 and molecular weight 471.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methylbenzenesulfonate;trimethyl(3-pyrido[3,2-b][1,4]benzothiazin-10-ylpropyl)azanium
Also Known As: Ammonium, (3-(10H-pyrido(3,2-b)(1,4)benzothiazin-10-yl)propyl)trimethyl-, p-toluenesulfonate, 4-methylbenzenesulfonate; trimethyl(3-pyrido[3,2-b][1,4]benzothiazin-10-ylpropyl)azanium, 10H-Pyrido[3,2-b][1,4]benzothiazine-10-propanaminium, N,N,N-trimethyl-, salt with 4-methylbenzenesulfonic acid (1:1), N,N,N-Trimethyl-3-(10H-pyrido[3,2-b][1,4]benzothiazin-10-yl)propan-1-aminium 4-methylbenzene-1-sulfonate, RefChem:318835
| Molecular Formula | C24H29N3O3S2 |
|---|---|
| Molecular Weight | 471.17 g/mol |
| LogP | 4.68 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 471.16504 |
| Heavy Atoms | 32 |
| Complexity | 534.0 |
Chemical Identifiers
| CAS Number | 66827-26-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+](C)(C)CCCN1C2=CC=CC=C2SC3=C1N=CC=C3 |
| InChIKey | KMKJBRGIOGKDAE-UHFFFAOYSA-M |
Product Overview
RefChem:318835 (CAS 66827-26-7), with molecular formula C24H29N3O3S2 and molecular weight 471.17 g/mol. IUPAC: 4-methylbenzenesulfonate;trimethyl(3-pyrido[3,2-b][1,4]benzothiazin-10-ylpropyl)azanium.
Chemical Property Profile of RefChem:318835
Property Insights of RefChem:318835
The XLogP value of 4.68 indicates that RefChem:318835 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:318835. Following Lipinski's Rule of Five, RefChem:318835 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:318835?
The CAS number of RefChem:318835 is 66827-26-7.
What is the molecular formula of RefChem:318835?
The molecular formula of RefChem:318835 is C24H29N3O3S2.
What is the molecular weight of RefChem:318835?
The molecular weight of RefChem:318835 is 471.17 g/mol.
Where can I buy RefChem:318835?
You can request a quote for RefChem:318835 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:318835?
Yes, KEHONG BIO provides custom synthesis services for RefChem:318835 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.