ITSA1
TL;DR: ITSA1 (CAS 200626-61-5) is a chemical compound with molecular formula C13H7Cl2N3O and molecular weight 291.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzotriazol-1-yl-(2,4-dichlorophenyl)methanone
Also Known As: ITSA1, 4-Decyloxyaniline, ITSA-1 (ITSA1), CBChromo1_000142, Probes1_000164
| Molecular Formula | C13H7Cl2N3O |
|---|---|
| Molecular Weight | 291.00 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 47.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 290.9966 |
| Heavy Atoms | 19 |
| Complexity | 355.0 |
Chemical Identifiers
| CAS Number | 200626-61-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=NN2C(=O)C3=C(C=C(C=C3)Cl)Cl |
| InChIKey | UVNLAUGZMOPBPR-UHFFFAOYSA-N |
Product Overview
ITSA1 (CAS 200626-61-5), with molecular formula C13H7Cl2N3O and molecular weight 291.00 g/mol. IUPAC: benzotriazol-1-yl-(2,4-dichlorophenyl)methanone.
Chemical Property Profile of ITSA1
Property Insights of ITSA1
The XLogP value of 3.9 indicates that ITSA1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.8 Ų, ITSA1 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ITSA1 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 ITSA1?
The CAS number of ITSA1 is 200626-61-5.
What is the molecular formula of ITSA1?
The molecular formula of ITSA1 is C13H7Cl2N3O.
What is the molecular weight of ITSA1?
The molecular weight of ITSA1 is 291.00 g/mol.
Where can I buy ITSA1?
You can request a quote for ITSA1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ITSA1?
Yes, KEHONG BIO provides custom synthesis services for ITSA1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.