RefChem:88531
TL;DR: RefChem:88531 (CAS 72076-47-2) is a chemical compound with molecular formula C19H18N2O6S and molecular weight 402.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-acetamido-1-acetyloxynaphthalene-2-sulfonic acid;pyridine
Also Known As: 2-Naphthalenesulfonic acid, 5-(acetylamino)-1-(acetyloxy)-, compd. with pyridine (1:1), 5-Acetamido-1-acetoxynaphthalene-2-sulfonic acid, pyridinium salt, 5-acetamido-1-acetyloxynaphthalene-2-sulfonic acid; pyridine, 5-acetamido-1-acetoxynaphthalene-2-sulfonic acid pyridinium salt, 5-Acetamido-1-(acetyloxy)naphthalene-2-sulfonic acid--pyridine (1/1)
| Molecular Formula | C19H18N2O6S |
|---|---|
| Molecular Weight | 402.09 g/mol |
| LogP | 3.0518 |
| Topological Polar Surface Area | 131.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 402.08856 |
| Heavy Atoms | 28 |
| Complexity | 571.0 |
Chemical Identifiers
| CAS Number | 72076-47-2 |
|---|---|
| SMILES | CC(=O)NC1=CC=CC2=C1C=CC(=C2OC(=O)C)S(=O)(=O)O.C1=CC=NC=C1 |
| InChIKey | YKXSFDJKHIROMG-UHFFFAOYSA-N |
Product Overview
RefChem:88531 (CAS 72076-47-2), with molecular formula C19H18N2O6S and molecular weight 402.09 g/mol. IUPAC: 5-acetamido-1-acetyloxynaphthalene-2-sulfonic acid;pyridine.
Chemical Property Profile of RefChem:88531
Property Insights of RefChem:88531
The XLogP value of 3.0518 indicates that RefChem:88531 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 131.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:88531. Following Lipinski's Rule of Five, RefChem:88531 has 2 hydrogen bond donor(s) and 7 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:88531?
The CAS number of RefChem:88531 is 72076-47-2.
What is the molecular formula of RefChem:88531?
The molecular formula of RefChem:88531 is C19H18N2O6S.
What is the molecular weight of RefChem:88531?
The molecular weight of RefChem:88531 is 402.09 g/mol.
Where can I buy RefChem:88531?
You can request a quote for RefChem:88531 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:88531?
Yes, KEHONG BIO provides custom synthesis services for RefChem:88531 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.