RefChem:300171
TL;DR: RefChem:300171 (CAS 62346-00-3) is a chemical compound with molecular formula C18H16N3O11PS2 and molecular weight 545.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-acetamido-4-hydroxy-3-[(3-phosphonophenyl)diazenyl]naphthalene-2,7-disulfonic acid
Also Known As: 5-(Acetylamino)-4-hydroxy-3-((3-phosphonophenyl)azo)naphthalene-2,7-disulphonic acid, (3Z)-5-acetamido-4-oxo-3-[(3-phosphonophenyl)hydrazinylidene]naphthalene-2,7-disulfonic acid, 2,7-Naphthalenedisulfonic acid, 5-(acetylamino)-4-hydroxy-3-[(3-phosphonophenyl)azo]-, 5-(Acetylamino)-4-hydroxy-3-(2-(3-phosphonophenyl)diazenyl)-2,7-naphthalenedisulfonic acid, 5-(Acetylamino)-4-hydroxy-3-[(3-phosphonophenyl)azo]-2,7-naphthalenedisulfonic acid
| Molecular Formula | C18H16N3O11PS2 |
|---|---|
| Molecular Weight | 545.00 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 257.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 6 |
| Exact Mass | 544.9964 |
| Heavy Atoms | 35 |
| Complexity | 1080.0 |
Chemical Identifiers
| CAS Number | 62346-00-3 |
|---|---|
| SMILES | CC(=O)NC1=C2C(=CC(=C1)S(=O)(=O)O)C=C(C(=C2O)N=NC3=CC(=CC=C3)P(=O)(O)O)S(=O)(=O)O |
| InChIKey | RXJPLRCBOFBATC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
RefChem:300171 (CAS 62346-00-3), with molecular formula C18H16N3O11PS2 and molecular weight 545.00 g/mol. IUPAC: 5-acetamido-4-hydroxy-3-[(3-phosphonophenyl)diazenyl]naphthalene-2,7-disulfonic acid.
Chemical Property Profile of RefChem:300171
Property Insights of RefChem:300171
The XLogP value of -0.1 indicates that RefChem:300171 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 257.0 Ų indicates high polarity, suggesting RefChem:300171 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:300171 has 6 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:300171?
The CAS number of RefChem:300171 is 62346-00-3.
What is the molecular formula of RefChem:300171?
The molecular formula of RefChem:300171 is C18H16N3O11PS2.
What is the molecular weight of RefChem:300171?
The molecular weight of RefChem:300171 is 545.00 g/mol.
Where can I buy RefChem:300171?
You can request a quote for RefChem:300171 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:300171?
Yes, KEHONG BIO provides custom synthesis services for RefChem:300171 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.