RefChem:446261
TL;DR: RefChem:446261 (CAS 72906-52-6) is a chemical compound with molecular formula C53H53N9O9S3 and molecular weight 1055.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(1,2-bis(2-methylphenyl)guanidine);4-hydroxy-5-[(4-methylphenyl)sulfonylamino]-3-phenyldiazenylnaphthalene-2,7-disulfonic acid
Also Known As: 2,7-Naphthalenedisulfonic acid, 4-hydroxy-5-(((4-methylphenyl)sulfonyl)amino)-3-(2-phenyldiazenyl)-, compd. with N,N'-bis(2-methylphenyl)guanidine (1:2), 2,7-Naphthalenedisulfonic acid, 4-hydroxy-5-(((4-methylphenyl)sulfonyl)amino)-3-(phenylazo)-, compd. with N,N'-bis(2-methylphenyl)guanidine (1:2), 2,7-Naphthalenedisulfonic acid, 4-hydroxy-5-[[(4-methylphenyl)sulfonyl]amino]-3-(phenylazo)-, compd. with N,N'-bis(2-methylphenyl)guanidine (1:2), 2,7-Naphthalenedisulfonic acid, 4-hydroxy-5-[[(4-methylphenyl)sulfonyl]amino]-3-(2-phenyldiazenyl)-, compd. with N,N'-bis(2-methylphenyl)guanidine (1:2), 2,7-Naphthalenedisulfonic acid, 4-hydroxy-5-[[(4-methylphenyl)sulfonyl]amino]-3-(phenylazo)-, compound with N,N'-bis(2-methylphenyl)guanidine (1:2)
| Molecular Formula | C53H53N9O9S3 |
|---|---|
| Molecular Weight | 1055.31 g/mol |
| LogP | 11.2869 |
| Topological Polar Surface Area | 326.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 13 |
| Exact Mass | 1055.3129 |
| Heavy Atoms | 74 |
| Complexity | 1450.0 |
Chemical Identifiers
| CAS Number | 72906-52-6 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)NC2=C3C(=CC(=C2)S(=O)(=O)O)C=C(C(=C3O)N=NC4=CC=CC=C4)S(=O)(=O)O.CC1=CC=CC=C1NC(=NC2=CC=CC=C2C)N.CC1=CC=CC=C1NC(=NC2=CC=CC=C2C)N |
| InChIKey | UFVPPDQXDAQILZ-UHFFFAOYSA-N |
Product Overview
RefChem:446261 (CAS 72906-52-6), with molecular formula C53H53N9O9S3 and molecular weight 1055.31 g/mol. IUPAC: bis(1,2-bis(2-methylphenyl)guanidine);4-hydroxy-5-[(4-methylphenyl)sulfonylamino]-3-phenyldiazenylnaphthalene-2,7-disulfonic acid.
Chemical Property Profile of RefChem:446261
Property Insights of RefChem:446261
The XLogP value of 11.2869 indicates that RefChem:446261 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 326.0 Ų indicates high polarity, suggesting RefChem:446261 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:446261 has 8 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:446261?
The CAS number of RefChem:446261 is 72906-52-6.
What is the molecular formula of RefChem:446261?
The molecular formula of RefChem:446261 is C53H53N9O9S3.
What is the molecular weight of RefChem:446261?
The molecular weight of RefChem:446261 is 1055.31 g/mol.
Where can I buy RefChem:446261?
You can request a quote for RefChem:446261 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:446261?
Yes, KEHONG BIO provides custom synthesis services for RefChem:446261 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.