RefChem:476651
TL;DR: RefChem:476651 (CAS 71173-80-3) is a chemical compound with molecular formula C17H12FNO7S2 and molecular weight 425.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(3-fluorosulfonylphenyl)sulfonylamino]-1-hydroxynaphthalene-2-carboxylic acid
Also Known As: 2-Naphthalenecarboxylic acid, 5-[[[3-(fluorosulfonyl)phenyl]sulfonyl]amino]-1-hydroxy-, 5-(3-Fluorosulfonylbenzenesulfonamido)-1-hydroxy-2-naphthoic acid, 2-Naphthalenecarboxylic acid, 5-(((3-(fluorosulfonyl)phenyl)sulfonyl)amino)-1-hydroxy-, 5-({[3-(fluorosulfonyl)phenyl]sulfonyl}amino)-1-hydroxy-2-naphthoic acid, 5-[[[3-(Fluorosulfonyl)phenyl]sulfonyl]amino]-1-hydroxy-2-naphthalenecarboxylic acid
| Molecular Formula | C17H12FNO7S2 |
|---|---|
| Molecular Weight | 425.00 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 155.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 425.00394 |
| Heavy Atoms | 28 |
| Complexity | 789.0 |
Chemical Identifiers
| CAS Number | 71173-80-3 |
|---|---|
| SMILES | C1=CC(=CC(=C1)S(=O)(=O)F)S(=O)(=O)NC2=CC=CC3=C2C=CC(=C3O)C(=O)O |
| InChIKey | QWYNOJFRVSXWIF-UHFFFAOYSA-N |
Product Overview
RefChem:476651 (CAS 71173-80-3), with molecular formula C17H12FNO7S2 and molecular weight 425.00 g/mol. IUPAC: 5-[(3-fluorosulfonylphenyl)sulfonylamino]-1-hydroxynaphthalene-2-carboxylic acid.
Chemical Property Profile of RefChem:476651
Property Insights of RefChem:476651
The XLogP value of 3.2 indicates that RefChem:476651 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 155.0 Ų indicates high polarity, suggesting RefChem:476651 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:476651 has 3 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:476651?
The CAS number of RefChem:476651 is 71173-80-3.
What is the molecular formula of RefChem:476651?
The molecular formula of RefChem:476651 is C17H12FNO7S2.
What is the molecular weight of RefChem:476651?
The molecular weight of RefChem:476651 is 425.00 g/mol.
Where can I buy RefChem:476651?
You can request a quote for RefChem:476651 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:476651?
Yes, KEHONG BIO provides custom synthesis services for RefChem:476651 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.