RefChem:446066
TL;DR: RefChem:446066 (CAS 63216-84-2) is a chemical compound with molecular formula C40H31N5O13S3 and molecular weight 885.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[4-[4-[(6-anilino-1-hydroxy-3-sulfonaphthalen-2-yl)diazenyl]-3-methoxyphenyl]-2-methoxyphenyl]diazenyl]-3-hydroxynaphthalene-2,7-disulfonic acid
Also Known As: 2,7-Naphthalenedisulfonic acid, 3-hydroxy-4-((4'-((1-hydroxy-6-(phenylamino)-3-sulfo-2-naphthalenyl)azo)-3,3'-dimethoxy(1,1'-biphenyl)-4-yl)azo)-, 2,7-Naphthalenedisulfonic acid, 3-hydroxy-4-(2-(4'-(2-(1-hydroxy-6-(phenylamino)-3-sulfo-2-naphthalenyl)diazenyl)-3,3'-dimethoxy(1,1'-biphenyl)-4-yl)diazenyl)-, 2,7-Naphthalenedisulfonic acid, 3-hydroxy-4-[[4'-[[1-hydroxy-6-(phenylamino)-3-sulfo-2-naphthalenyl]azo]-3,3'-dimethoxy[1,1'-biphenyl]-4-yl]azo]-, 2,7-Naphthalenedisulfonic acid, 3-hydroxy-4-[2-[4'-[2-[1-hydroxy-6-(phenylamino)-3-sulfo-2-naphthalenyl]diazenyl]-3,3'-dimethoxy[1,1'-biphenyl]-4-yl]diazenyl]-, 3-Hydroxy-4-((4'-((1-hydroxy-6-(phenylamino)-3-sulpho-2-naphthyl)azo)-3,3'-dimethoxy(1,1'-biphenyl)-4-yl)azo)naphthalene-2,7-disulphonic acid
| Molecular Formula | C40H31N5O13S3 |
|---|---|
| Molecular Weight | 885.11 g/mol |
| LogP | 7.2 |
| Topological Polar Surface Area | 309.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 12 |
| Exact Mass | 885.10803 |
| Heavy Atoms | 61 |
| Complexity | 1870.0 |
Chemical Identifiers
| CAS Number | 63216-84-2 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)C2=CC(=C(C=C2)N=NC3=C(C=C4C=C(C=CC4=C3O)NC5=CC=CC=C5)S(=O)(=O)O)OC)N=NC6=C7C=CC(=CC7=CC(=C6O)S(=O)(=O)O)S(=O)(=O)O |
| InChIKey | RDPSJFKAXIQCFK-UHFFFAOYSA-N |
Product Overview
RefChem:446066 (CAS 63216-84-2), with molecular formula C40H31N5O13S3 and molecular weight 885.11 g/mol. IUPAC: 4-[[4-[4-[(6-anilino-1-hydroxy-3-sulfonaphthalen-2-yl)diazenyl]-3-methoxyphenyl]-2-methoxyphenyl]diazenyl]-3-hydroxynaphthalene-2,7-disulfonic acid.
Chemical Property Profile of RefChem:446066
Property Insights of RefChem:446066
The XLogP value of 7.2 indicates that RefChem:446066 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 309.0 Ų indicates high polarity, suggesting RefChem:446066 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:446066 has 6 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:446066?
The CAS number of RefChem:446066 is 63216-84-2.
What is the molecular formula of RefChem:446066?
The molecular formula of RefChem:446066 is C40H31N5O13S3.
What is the molecular weight of RefChem:446066?
The molecular weight of RefChem:446066 is 885.11 g/mol.
Where can I buy RefChem:446066?
You can request a quote for RefChem:446066 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:446066?
Yes, KEHONG BIO provides custom synthesis services for RefChem:446066 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.