SecinH3
TL;DR: SecinH3 (CAS 853625-60-2) is a chemical compound with molecular formula C24H20N4O4S and molecular weight 460.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-[5-(1,3-benzodioxol-5-yl)-3-methoxy-1,2,4-triazol-1-yl]phenyl]-2-phenylsulfanylacetamide
Also Known As: SecinH3, Secin H3, Secin-H3; Secin H3, Cytohesins Inhibitor SecinH3, N-[4-[5-(1,3-Benzodioxol-5-yl)-3-methoxy-1H-1,2,4-triazol-1-yl]phenyl]-2-(phenylthio)acetamide
| Molecular Formula | C24H20N4O4S |
|---|---|
| Molecular Weight | 460.12 g/mol |
| LogP | 4.4024 |
| Topological Polar Surface Area | 87.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 460.1205 |
| Heavy Atoms | 33 |
| Complexity | 1275.6312 |
Chemical Identifiers
| CAS Number | 853625-60-2 |
|---|---|
| SMILES | COC1=NN(C(=N1)C2=CC3=C(C=C2)OCO3)C4=CC=C(C=C4)NC(=O)CSC5=CC=CC=C5 |
Product Overview
SecinH3 (CAS 853625-60-2), with molecular formula C24H20N4O4S and molecular weight 460.12 g/mol. IUPAC: N-[4-[5-(1,3-benzodioxol-5-yl)-3-methoxy-1,2,4-triazol-1-yl]phenyl]-2-phenylsulfanylacetamide.
Chemical Property Profile of SecinH3
Property Insights of SecinH3
The XLogP value of 4.4024 indicates that SecinH3 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.5 Ų falls within the moderate polarity range, balancing permeability and solubility for SecinH3. Following Lipinski's Rule of Five, SecinH3 has 1 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 SecinH3?
The CAS number of SecinH3 is 853625-60-2.
What is the molecular formula of SecinH3?
The molecular formula of SecinH3 is C24H20N4O4S.
What is the molecular weight of SecinH3?
The molecular weight of SecinH3 is 460.12 g/mol.
Where can I buy SecinH3?
You can request a quote for SecinH3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for SecinH3?
Yes, KEHONG BIO provides custom synthesis services for SecinH3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.