RefChem:378755
TL;DR: RefChem:378755 (CAS 21798-35-6) is a chemical compound with molecular formula C49H49N5O9S2 and molecular weight 915.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(4-methylbenzenesulfonate);1-N-[4-[(1-propylpyridin-1-ium-3-yl)carbamoyl]phenyl]-4-N-(1-propylquinolin-1-ium-6-yl)benzene-1,4-dicarboxamide
Also Known As: Quinolinium, 1-propyl-6-((p-(p-((1-propylpyridinium-3-yl)carbamoyl)phenyl)carbamoyl)benzamido)-, di-p-toluenesulfonate, 1-propyl-6-{[4-({4-[(1-propylpyridinium-3-yl)carbamoyl]phenyl}carbamoyl)benzoyl]amino}quinolinium bis(4-methylbenzenesulfonate), 1-Propyl-6-[4-({4-[(1-propylpyridin-1-ium-3-yl)carbamoyl]phenyl}carbamoyl)benzamido]quinolin-1-ium bis(4-methylbenzene-1-sulfonate), 4-methylbenzenesulfonate; 1-N-[4-[(1-propylpyridin-1-ium-3-yl)carbamoyl]phenyl]-4-N-(1-propylquinolin-1-ium-6-yl)benzene-1,4-dicarboxamide, RefChem:378755
| Molecular Formula | C49H49N5O9S2 |
|---|---|
| Molecular Weight | 915.30 g/mol |
| LogP | 7.78994 |
| Topological Polar Surface Area | 226.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 915.2972 |
| Heavy Atoms | 65 |
| Complexity | 1110.0 |
Chemical Identifiers
| CAS Number | 21798-35-6 |
|---|---|
| SMILES | CCC[N+]1=CC=CC(=C1)NC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)C(=O)NC4=CC5=C(C=C4)[N+](=CC=C5)CCC.CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-] |
| InChIKey | IYVHHDBXKUVRPF-UHFFFAOYSA-N |
Product Overview
RefChem:378755 (CAS 21798-35-6), with molecular formula C49H49N5O9S2 and molecular weight 915.30 g/mol. IUPAC: bis(4-methylbenzenesulfonate);1-N-[4-[(1-propylpyridin-1-ium-3-yl)carbamoyl]phenyl]-4-N-(1-propylquinolin-1-ium-6-yl)benzene-1,4-dicarboxamide.
Chemical Property Profile of RefChem:378755
Property Insights of RefChem:378755
The XLogP value of 7.78994 indicates that RefChem:378755 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 226.0 Ų indicates high polarity, suggesting RefChem:378755 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:378755 has 3 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:378755?
The CAS number of RefChem:378755 is 21798-35-6.
What is the molecular formula of RefChem:378755?
The molecular formula of RefChem:378755 is C49H49N5O9S2.
What is the molecular weight of RefChem:378755?
The molecular weight of RefChem:378755 is 915.30 g/mol.
Where can I buy RefChem:378755?
You can request a quote for RefChem:378755 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:378755?
Yes, KEHONG BIO provides custom synthesis services for RefChem:378755 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.