RefChem:118660
TL;DR: RefChem:118660 (CAS 63149-29-1) is a chemical compound with molecular formula C22H26N2O3S2 and molecular weight 430.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methylbenzenesulfonate;3-methyl-2-(2-piperidin-1-ylethenyl)-1,3-benzothiazol-3-ium
Also Known As: Benzothiazolium, 3-methyl-2-[2-(1-piperidinyl)ethenyl]-, salt with 4-methylbenzenesulfonic acid (1:1), Benzothiazolium, 3-methyl-2-(2-(1-piperidinyl)ethenyl)-, 4-methylbenzenesulfonate (1:1), Benzothiazolium, 3-methyl-2-(2-(1-piperidinyl)ethenyl)-, salt with 4-methylbenzenesulfonic acid (1:1), Benzothiazolium, 3-methyl-2-[2-(1-piperidinyl)ethenyl]-, 4-methylbenzenesulfonate (1:1), 3-Methyl-2-[2-(piperidin-1-yl)ethen-1-yl]-1,3-benzothiazol-3-ium 4-methylbenzene-1-sulfonate
| Molecular Formula | C22H26N2O3S2 |
|---|---|
| Molecular Weight | 430.14 g/mol |
| LogP | 4.08 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 430.1385 |
| Heavy Atoms | 29 |
| Complexity | 492.0 |
Chemical Identifiers
| CAS Number | 63149-29-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=C(SC2=CC=CC=C21)C=CN3CCCCC3 |
| InChIKey | STJYBOLZACTXAA-UHFFFAOYSA-M |
Product Overview
RefChem:118660 (CAS 63149-29-1), with molecular formula C22H26N2O3S2 and molecular weight 430.14 g/mol. IUPAC: 4-methylbenzenesulfonate;3-methyl-2-(2-piperidin-1-ylethenyl)-1,3-benzothiazol-3-ium.
Chemical Property Profile of RefChem:118660
Property Insights of RefChem:118660
The XLogP value of 4.08 indicates that RefChem:118660 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:118660. Following Lipinski's Rule of Five, RefChem:118660 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:118660?
The CAS number of RefChem:118660 is 63149-29-1.
What is the molecular formula of RefChem:118660?
The molecular formula of RefChem:118660 is C22H26N2O3S2.
What is the molecular weight of RefChem:118660?
The molecular weight of RefChem:118660 is 430.14 g/mol.
Where can I buy RefChem:118660?
You can request a quote for RefChem:118660 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:118660?
Yes, KEHONG BIO provides custom synthesis services for RefChem:118660 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.