RefChem:300786
TL;DR: RefChem:300786 (CAS 63217-29-8) is a chemical compound with molecular formula C59H64N6O12S2 and molecular weight 1112.40 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-acetamido-3-[[4-[3-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butylcarbamoyl]-4-hydroxynaphthalen-1-yl]oxyphenyl]diazenyl]-4-hydroxynaphthalene-2,7-disulfonic acid;bis(pyridine)
Also Known As: 5-Acetamido-3-((4-((3-(((4-(2,4-di(tert-pentyl)phenoxy)butyl)amino)carbonyl)-4-hydroxy-1-naphthyl)oxy)phenyl)azo)-4-hydroxynaphthalene-2,7-disulphonic acid, compound with pyridine (1:2), 2,7-Naphthalenedisulfonic acid, 5-(acetylamino)-3-((4-((3-(((4-(2,4-bis(1,1-dimethylpropyl)phenoxy)butyl)amino)carbonyl)-4-hydroxy-1-naphthalenyl)oxy)phenyl)azo)-4-hydroxy-, compd. with pyridine (1:2), 264-025-0, 5-Acetamido-3-[(4-{[3-({4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl}carbamoyl)-4-hydroxynaphthalen-1-yl]oxy}phenyl)diazenyl]-4-hydroxynaphthalene-2,7-disulfonic acid--pyridine (1/2), 5-acetamido-3-[[4-[[3-[[[4-[2,4-di(tert-pentyl)phenoxy]butyl]amino]carbonyl]-4-hydroxy-1-naphthyl]oxy]phenyl]azo]-4-hydroxynaphthalene-2,7-disulphonic acid, compound with pyridine (1:2)
| Molecular Formula | C59H64N6O12S2 |
|---|---|
| Molecular Weight | 1112.40 g/mol |
| LogP | 13.19 |
| Topological Polar Surface Area | 293.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 18 |
| Exact Mass | 1112.4023 |
| Heavy Atoms | 79 |
| Complexity | 1930.0 |
Chemical Identifiers
| CAS Number | 63217-29-8 |
|---|---|
| SMILES | CCC(C)(C)C1=CC(=C(C=C1)OCCCCNC(=O)C2=C(C3=CC=CC=C3C(=C2)OC4=CC=C(C=C4)N=NC5=C(C6=C(C=C(C=C6C=C5S(=O)(=O)O)S(=O)(=O)O)NC(=O)C)O)O)C(C)(C)CC.C1=CC=NC=C1.C1=CC=NC=C1 |
| InChIKey | XFOQPJHUIDKFPA-UHFFFAOYSA-N |
Product Overview
RefChem:300786 (CAS 63217-29-8), with molecular formula C59H64N6O12S2 and molecular weight 1112.40 g/mol. IUPAC: 5-acetamido-3-[[4-[3-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butylcarbamoyl]-4-hydroxynaphthalen-1-yl]oxyphenyl]diazenyl]-4-hydroxynaphthalene-2,7-disulfonic acid;bis(pyridine).
Chemical Property Profile of RefChem:300786
Property Insights of RefChem:300786
The XLogP value of 13.19 indicates that RefChem:300786 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 293.0 Ų indicates high polarity, suggesting RefChem:300786 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:300786 has 6 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:300786?
The CAS number of RefChem:300786 is 63217-29-8.
What is the molecular formula of RefChem:300786?
The molecular formula of RefChem:300786 is C59H64N6O12S2.
What is the molecular weight of RefChem:300786?
The molecular weight of RefChem:300786 is 1112.40 g/mol.
Where can I buy RefChem:300786?
You can request a quote for RefChem:300786 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:300786?
Yes, KEHONG BIO provides custom synthesis services for RefChem:300786 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.