Diasectral
TL;DR: Diasectral (CAS 34381-68-5) is a chemical compound with molecular formula C18H29ClN2O4 and molecular weight 372.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-[2-acetyl-4-(butanoylamino)phenoxy]-2-hydroxypropyl]-propan-2-ylazanium chloride
Also Known As: Diasectral, Wesfalin, Sectral, Neptal, Prent
| Molecular Formula | C18H29ClN2O4 |
|---|---|
| Molecular Weight | 372.18 g/mol |
| LogP | -1.66 |
| Topological Polar Surface Area | 92.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 372.18158 |
| Heavy Atoms | 25 |
| Complexity | 400.0 |
Chemical Identifiers
| CAS Number | 34381-68-5 |
|---|---|
| SMILES | CCCC(=O)NC1=CC(=C(C=C1)OCC(C[NH2+]C(C)C)O)C(=O)C.[Cl-] |
| InChIKey | KTUFKADDDORSSI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diasectral (CAS 34381-68-5), with molecular formula C18H29ClN2O4 and molecular weight 372.18 g/mol. IUPAC: [3-[2-acetyl-4-(butanoylamino)phenoxy]-2-hydroxypropyl]-propan-2-ylazanium chloride.
Chemical Property Profile of Diasectral
Property Insights of Diasectral
The XLogP value of -1.66 indicates that Diasectral is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 92.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Diasectral. Following Lipinski's Rule of Five, Diasectral has 3 hydrogen bond donor(s) and 5 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 Diasectral?
The CAS number of Diasectral is 34381-68-5.
What is the molecular formula of Diasectral?
The molecular formula of Diasectral is C18H29ClN2O4.
What is the molecular weight of Diasectral?
The molecular weight of Diasectral is 372.18 g/mol.
Where can I buy Diasectral?
You can request a quote for Diasectral directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diasectral?
Yes, KEHONG BIO provides custom synthesis services for Diasectral and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.