4-(Hexanoylamino)-5-hydroxynaphthalene-2,7-disulfonic acid
TL;DR: 4-(Hexanoylamino)-5-hydroxynaphthalene-2,7-disulfonic acid (CAS 500309-50-2) is a chemical compound with molecular formula C16H19NO8S2 and molecular weight 417.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(hexanoylamino)-5-hydroxynaphthalene-2,7-disulfonic acid
Also Known As: KSC-336-002-1, 4-(hexanoylamino)-5-hydroxynaphthalene-2,7-disulfonic acid, 4-hydroxy-5-[(1-oxohexyl)amino]-2,7-naphthalenedisulfonic acid
| Molecular Formula | C16H19NO8S2 |
|---|---|
| Molecular Weight | 417.06 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 175.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 417.0552 |
| Heavy Atoms | 27 |
| Complexity | 724.0 |
Chemical Identifiers
| CAS Number | 500309-50-2 |
|---|---|
| SMILES | CCCCCC(=O)NC1=C2C(=CC(=C1)S(=O)(=O)O)C=C(C=C2O)S(=O)(=O)O |
| InChIKey | BFQOMASDHSHRAN-UHFFFAOYSA-N |
Product Overview
4-(Hexanoylamino)-5-hydroxynaphthalene-2,7-disulfonic acid (CAS 500309-50-2), with molecular formula C16H19NO8S2 and molecular weight 417.06 g/mol. IUPAC: 4-(hexanoylamino)-5-hydroxynaphthalene-2,7-disulfonic acid.
Chemical Property Profile of 4-(Hexanoylamino)-5-hydroxynaphthalene-2,7-disulfonic acid
Property Insights of 4-(Hexanoylamino)-5-hydroxynaphthalene-2,7-disulfonic acid
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Hexanoylamino)-5-hydroxynaphthalene-2,7-disulfonic acid. The TPSA of 175.0 Ų indicates high polarity, suggesting 4-(Hexanoylamino)-5-hydroxynaphthalene-2,7-disulfonic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-(Hexanoylamino)-5-hydroxynaphthalene-2,7-disulfonic acid has 4 hydrogen bond donor(s) and 8 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 4-(Hexanoylamino)-5-hydroxynaphthalene-2,7-disulfonic acid?
The CAS number of 4-(Hexanoylamino)-5-hydroxynaphthalene-2,7-disulfonic acid is 500309-50-2.
What is the molecular formula of 4-(Hexanoylamino)-5-hydroxynaphthalene-2,7-disulfonic acid?
The molecular formula of 4-(Hexanoylamino)-5-hydroxynaphthalene-2,7-disulfonic acid is C16H19NO8S2.
What is the molecular weight of 4-(Hexanoylamino)-5-hydroxynaphthalene-2,7-disulfonic acid?
The molecular weight of 4-(Hexanoylamino)-5-hydroxynaphthalene-2,7-disulfonic acid is 417.06 g/mol.
Where can I buy 4-(Hexanoylamino)-5-hydroxynaphthalene-2,7-disulfonic acid?
You can request a quote for 4-(Hexanoylamino)-5-hydroxynaphthalene-2,7-disulfonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Hexanoylamino)-5-hydroxynaphthalene-2,7-disulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(Hexanoylamino)-5-hydroxynaphthalene-2,7-disulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.