SS/777
TL;DR: SS/777 (CAS 5432-48-4) is a chemical compound with molecular formula C42H44ClN3O6 and molecular weight 721.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid;4-N-(8-chloro-3-methylquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine
Also Known As: SS/777, 4,4'-methanediylbis(3-hydroxynaphthalene-2-carboxylic acid)- n4-(8-chloro-3-methylquinolin-4-yl)-n1,n1-diethylpentane-1,4-diamine(1:1), 4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid; 4-N-(8-chloro-3-methylquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine, 4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid;4-N-(8-chloro-3-methylquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine
| Molecular Formula | C42H44ClN3O6 |
|---|---|
| Molecular Weight | 721.29 g/mol |
| LogP | 9.51042 |
| Topological Polar Surface Area | 143.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 12 |
| Exact Mass | 721.2919 |
| Heavy Atoms | 52 |
| Complexity | 903.0 |
Chemical Identifiers
| CAS Number | 5432-48-4 |
|---|---|
| SMILES | CCN(CC)CCCC(C)NC1=C2C=CC=C(C2=NC=C1C)Cl.C1=CC=C2C(=C1)C=C(C(=C2CC3=C(C(=CC4=CC=CC=C43)C(=O)O)O)O)C(=O)O |
| InChIKey | MOPSMPWJDKAIEN-UHFFFAOYSA-N |
Product Overview
SS/777 (CAS 5432-48-4), with molecular formula C42H44ClN3O6 and molecular weight 721.29 g/mol. IUPAC: 4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid;4-N-(8-chloro-3-methylquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine.
Chemical Property Profile of SS/777
Property Insights of SS/777
The XLogP value of 9.51042 indicates that SS/777 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 143.0 Ų indicates high polarity, suggesting SS/777 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, SS/777 has 5 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 SS/777?
The CAS number of SS/777 is 5432-48-4.
What is the molecular formula of SS/777?
The molecular formula of SS/777 is C42H44ClN3O6.
What is the molecular weight of SS/777?
The molecular weight of SS/777 is 721.29 g/mol.
Where can I buy SS/777?
You can request a quote for SS/777 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for SS/777?
Yes, KEHONG BIO provides custom synthesis services for SS/777 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.