ITX3
TL;DR: ITX3 (CAS 347323-96-0) is a chemical compound with molecular formula C22H17N3OS and molecular weight 371.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2E)-2-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
Also Known As: ITX3, ITX 3, ITX3 compound, 1-Naphthaleneethanamine,N,N-diethyl, 3750AH
| Molecular Formula | C22H17N3OS |
|---|---|
| Molecular Weight | 371.11 g/mol |
| LogP | 3.86444 |
| Topological Polar Surface Area | 39.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 371.10922 |
| Heavy Atoms | 27 |
| Complexity | 1407.0946 |
Chemical Identifiers
| CAS Number | 347323-96-0 |
|---|---|
| SMILES | CC1=CC(=C(N1C2=CC=CC=C2)C)/C=C/3\C(=O)N4C5=CC=CC=C5N=C4S3 |
Product Overview
ITX3 (CAS 347323-96-0), with molecular formula C22H17N3OS and molecular weight 371.11 g/mol. IUPAC: (2E)-2-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one.
Chemical Property Profile of ITX3
Property Insights of ITX3
The XLogP value of 3.86444 indicates that ITX3 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.3 Ų, ITX3 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ITX3 has 0 hydrogen bond donor(s) and 3 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 ITX3?
The CAS number of ITX3 is 347323-96-0.
What is the molecular formula of ITX3?
The molecular formula of ITX3 is C22H17N3OS.
What is the molecular weight of ITX3?
The molecular weight of ITX3 is 371.11 g/mol.
Where can I buy ITX3?
You can request a quote for ITX3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ITX3?
Yes, KEHONG BIO provides custom synthesis services for ITX3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.