Custanolide
TL;DR: Custanolide (CAS 2410-53-9) is a chemical compound with molecular formula C34H42N4O8S4 and molecular weight 762.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-N-[2-[(4-methylphenyl)sulfonyl-[2-[(4-methylphenyl)sulfonyl-[2-[(4-methylphenyl)sulfonylamino]ethyl]amino]ethyl]amino]ethyl]benzenesulfonamide
Also Known As: Custanolide, 1,4,7,10-TETRA DECANE, BAS 00104239, N,N',N",N'"-tetratosyltriethylenetetramine, J2.444.621B
| Molecular Formula | C34H42N4O8S4 |
|---|---|
| Molecular Weight | 762.19 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 201.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 17 |
| Exact Mass | 762.18854 |
| Heavy Atoms | 50 |
| Complexity | 1360.0 |
Chemical Identifiers
| CAS Number | 2410-53-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)NCCN(CCN(CCNS(=O)(=O)C2=CC=C(C=C2)C)S(=O)(=O)C3=CC=C(C=C3)C)S(=O)(=O)C4=CC=C(C=C4)C |
| InChIKey | QIWSTPSOLZVXIB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Custanolide (CAS 2410-53-9), with molecular formula C34H42N4O8S4 and molecular weight 762.19 g/mol. IUPAC: 4-methyl-N-[2-[(4-methylphenyl)sulfonyl-[2-[(4-methylphenyl)sulfonyl-[2-[(4-methylphenyl)sulfonylamino]ethyl]amino]ethyl]amino]ethyl]benzenesulfonamide.
Chemical Property Profile of Custanolide
Property Insights of Custanolide
The XLogP value of 4.7 indicates that Custanolide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 201.0 Ų indicates high polarity, suggesting Custanolide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Custanolide has 2 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Custanolide?
The CAS number of Custanolide is 2410-53-9.
What is the molecular formula of Custanolide?
The molecular formula of Custanolide is C34H42N4O8S4.
What is the molecular weight of Custanolide?
The molecular weight of Custanolide is 762.19 g/mol.
Where can I buy Custanolide?
You can request a quote for Custanolide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Custanolide?
Yes, KEHONG BIO provides custom synthesis services for Custanolide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.