RefChem:118748
TL;DR: RefChem:118748 (CAS 41503-58-6) is a chemical compound with molecular formula C26H24N2O5S and molecular weight 476.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methylbenzenesulfonate;3-methyl-2-[3-(3-methyl-1,3-benzoxazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzoxazole
Also Known As: Benzoxazolium, 3-methyl-2-[3-(3-methyl-2(3H)-benzoxazolylidene)-1-propenyl]-, salt with 4-methylbenzenesulfonic acid (1:1), Benzoxazolium, 3-methyl-2-(3-(3-methyl-2(3H)-benzoxazolylidene)-1-propen-1-yl)-, 4-methylbenzenesulfonate (1:1), Benzoxazolium, 3-methyl-2-(3-(3-methyl-2(3H)-benzoxazolylidene)-1-propenyl)-, salt with 4-methylbenzenesulfonic acid (1:1), 3-METHYL-2-[3-(3-METHYL-3H-BENZOXAZOL-2-YLIDENE)PROP-1-ENYL]BENZOXAZOLIUM P-TOLUENESULPHONATE, 4-methylbenzenesulfonate,(2Z)-3-methyl-2-[(E)-3-(3-methyl-1,3-benzoxazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzoxazole
| Molecular Formula | C26H24N2O5S |
|---|---|
| Molecular Weight | 476.14 g/mol |
| LogP | 4.53982 |
| Topological Polar Surface Area | 95.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 476.1406 |
| Heavy Atoms | 34 |
| Complexity | 641.0 |
Chemical Identifiers
| CAS Number | 41503-58-6 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)[O-].CN1C2=CC=CC=C2OC1=CC=CC3=[N+](C4=CC=CC=C4O3)C |
| InChIKey | YWXXFCTUEZUPQE-UHFFFAOYSA-M |
Product Overview
RefChem:118748 (CAS 41503-58-6), with molecular formula C26H24N2O5S and molecular weight 476.14 g/mol. IUPAC: 4-methylbenzenesulfonate;3-methyl-2-[3-(3-methyl-1,3-benzoxazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzoxazole.
Chemical Property Profile of RefChem:118748
Property Insights of RefChem:118748
The XLogP value of 4.53982 indicates that RefChem:118748 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.1 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:118748. Following Lipinski's Rule of Five, RefChem:118748 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:118748?
The CAS number of RefChem:118748 is 41503-58-6.
What is the molecular formula of RefChem:118748?
The molecular formula of RefChem:118748 is C26H24N2O5S.
What is the molecular weight of RefChem:118748?
The molecular weight of RefChem:118748 is 476.14 g/mol.
Where can I buy RefChem:118748?
You can request a quote for RefChem:118748 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:118748?
Yes, KEHONG BIO provides custom synthesis services for RefChem:118748 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.