Dermadin
TL;DR: Dermadin (CAS 12698-52-1) is a chemical compound with molecular formula C9H9NO3 and molecular weight 179.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-[(E)-2-carboxyethenyl]-6-oxabicyclo[3.1.0]hex-2-en-3-yl]-methanidylideneazanium
Also Known As: Dermadin, U-21963, [5-[(E)-2-carboxyethenyl]-6-oxabicyclo[3.1.0]hex-2-en-3-yl]-methanidylideneazanium, (5-((E)-2-carboxyethenyl)-6-oxabicyclo(3.1.0)hex-2-en-3-yl)-methanidylideneazanium, [1-[(E)-2-carboxyethenyl]-6-oxabicyclo[3.1.0]hex-3-en-3-yl]-methanidylideneazanium
| Molecular Formula | C9H9NO3 |
|---|---|
| Molecular Weight | 179.06 g/mol |
| LogP | -1.2894 |
| Topological Polar Surface Area | 63.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 179.05824 |
| Heavy Atoms | 13 |
| Complexity | 331.75153 |
Chemical Identifiers
| CAS Number | 12698-52-1 |
|---|---|
| SMILES | [CH-]=[NH+]C1=CC2C(C1)(O2)/C=C/C(=O)O |
Product Overview
Dermadin (CAS 12698-52-1), with molecular formula C9H9NO3 and molecular weight 179.06 g/mol. IUPAC: [5-[(E)-2-carboxyethenyl]-6-oxabicyclo[3.1.0]hex-2-en-3-yl]-methanidylideneazanium.
Chemical Property Profile of Dermadin
Property Insights of Dermadin
The XLogP value of -1.2894 indicates that Dermadin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 63.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Dermadin. Following Lipinski's Rule of Five, Dermadin has 2 hydrogen bond donor(s) and 2 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 Dermadin?
The CAS number of Dermadin is 12698-52-1.
What is the molecular formula of Dermadin?
The molecular formula of Dermadin is C9H9NO3.
What is the molecular weight of Dermadin?
The molecular weight of Dermadin is 179.06 g/mol.
Where can I buy Dermadin?
You can request a quote for Dermadin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dermadin?
Yes, KEHONG BIO provides custom synthesis services for Dermadin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.