Vernaldehyde
TL;DR: Vernaldehyde (CAS 66327-55-7) is a chemical compound with molecular formula C27H29NO7S2 and molecular weight 543.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
azanium 1-butan-2-yl-7-[[2-hydroxy-5-(4-hydroxyphenyl)sulfonylphenyl]methyl]naphthalene-2-sulfonate
Also Known As: Vernaldehyde, 2-Naphthalenesulfonic acid, 7-((2-hydroxy-5-((4-hydroxyphenyl)sulfonyl)phenyl)methyl)(1-methylpropyl)-, ammonium salt (1:1), 2-Naphthalenesulfonic acid, 7-((2-hydroxy-5-((4-hydroxyphenyl)sulfonyl)phenyl)methyl)(1-methylpropyl)-, monoammonium salt, 2-Naphthalenesulfonic acid, 7-[[2-hydroxy-5-[(4-hydroxyphenyl)sulfonyl]phenyl]methyl](1-methylpropyl)-, monoammonium salt, 2-Naphthalenesulfonic acid, 7-[[2-hydroxy-5-[(4-hydroxyphenyl)sulfonyl]phenyl]methyl](1-methylpropyl)-, ammonium salt (1:1)
| Molecular Formula | C27H29NO7S2 |
|---|---|
| Molecular Weight | 543.14 g/mol |
| LogP | 5.4684 |
| Topological Polar Surface Area | 150.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 543.13855 |
| Heavy Atoms | 37 |
| Complexity | 917.0 |
Chemical Identifiers
| CAS Number | 66327-55-7 |
|---|---|
| SMILES | CCC(C)C1=C(C=CC2=C1C=C(C=C2)CC3=C(C=CC(=C3)S(=O)(=O)C4=CC=C(C=C4)O)O)S(=O)(=O)[O-].[NH4+] |
| InChIKey | NMYFGCSSOCVHPU-UHFFFAOYSA-N |
Product Overview
Vernaldehyde (CAS 66327-55-7), with molecular formula C27H29NO7S2 and molecular weight 543.14 g/mol. IUPAC: azanium 1-butan-2-yl-7-[[2-hydroxy-5-(4-hydroxyphenyl)sulfonylphenyl]methyl]naphthalene-2-sulfonate.
Chemical Property Profile of Vernaldehyde
Property Insights of Vernaldehyde
The XLogP value of 5.4684 indicates that Vernaldehyde is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 150.0 Ų indicates high polarity, suggesting Vernaldehyde may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Vernaldehyde has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Vernaldehyde?
The CAS number of Vernaldehyde is 66327-55-7.
What is the molecular formula of Vernaldehyde?
The molecular formula of Vernaldehyde is C27H29NO7S2.
What is the molecular weight of Vernaldehyde?
The molecular weight of Vernaldehyde is 543.14 g/mol.
Where can I buy Vernaldehyde?
You can request a quote for Vernaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Vernaldehyde?
Yes, KEHONG BIO provides custom synthesis services for Vernaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.