RefChem:378138
TL;DR: RefChem:378138 (CAS 63886-18-0) is a chemical compound with molecular formula C51H66N4O8+2 and molecular weight 862.49 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;bis(1-[(1E,3E)-4-methyl-5-pyrrolidin-1-ium-1-ylidenepenta-1,3-dienyl]pyrrolidine);dihydrate
Also Known As: Pyrrolidinium, 1-(2-methyl-5-pyrrolidino-2,4-pentadienylidene)-, pamoate, dihydrate, 1-(2-Methyl-5-pyrrolidino-2,4-pentadienylidene)pyrrolidinium pamoate dihydrate, 4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid; 1-[(1E,3E)-4-methyl-5-pyrrolidin-1-ium-1-ylidenepenta-1,3-dienyl]pyrrolidine; dihydrate, Pyrrolidinium, 1-[2-methyl-5-(1-pyrrolidinyl)-2,4-pentadienylidene]-, salt with 4,4'-methylenebis[3-hydroxy-2-naphthalenecarboxylic acid] (2:1), dihydrate, RefChem:378138
| Molecular Formula | C51H66N4O8+2 |
|---|---|
| Molecular Weight | 862.49 g/mol |
| LogP | 7.5806 |
| Topological Polar Surface Area | 190.56 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 862.48804 |
| Heavy Atoms | 63 |
| Complexity | 2202.387 |
Chemical Identifiers
| CAS Number | 63886-18-0 |
|---|---|
| SMILES | C/C(=C\C=C\N1CCCC1)/C=[N+]2CCCC2.C/C(=C\C=C\N1CCCC1)/C=[N+]2CCCC2.C1=CC=C2C(=C(C(=CC2=C1)C(=O)O)O)CC3=C(C(=CC4=CC=CC=C34)C(=O)O)O.O.O |
Product Overview
RefChem:378138 (CAS 63886-18-0), with molecular formula C51H66N4O8+2 and molecular weight 862.49 g/mol. IUPAC: 4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid;bis(1-[(1E,3E)-4-methyl-5-pyrrolidin-1-ium-1-ylidenepenta-1,3-dienyl]pyrrolidine);dihydrate.
Chemical Property Profile of RefChem:378138
Property Insights of RefChem:378138
The XLogP value of 7.5806 indicates that RefChem:378138 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 190.56 Ų indicates high polarity, suggesting RefChem:378138 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:378138 has 4 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:378138?
The CAS number of RefChem:378138 is 63886-18-0.
What is the molecular formula of RefChem:378138?
The molecular formula of RefChem:378138 is C51H66N4O8+2.
What is the molecular weight of RefChem:378138?
The molecular weight of RefChem:378138 is 862.49 g/mol.
Where can I buy RefChem:378138?
You can request a quote for RefChem:378138 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:378138?
Yes, KEHONG BIO provides custom synthesis services for RefChem:378138 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.