o-Terephthalotoluidide
TL;DR: o-Terephthalotoluidide (CAS 874-46-4) is a chemical compound with molecular formula C22H20N2O2 and molecular weight 344.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-N,4-N-bis(2-methylphenyl)benzene-1,4-dicarboxamide
Also Known As: o-Terephthalotoluidide, N,N'-Di-o-tolyl-terephthalamide, n,n'-bis(2-methylphenyl)terephthalamide, BAS 00084850, N~1~,N~4~-bis(2-methylphenyl)terephthalamide
| Molecular Formula | C22H20N2O2 |
|---|---|
| Molecular Weight | 344.15 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 58.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 344.15247 |
| Heavy Atoms | 26 |
| Complexity | 441.0 |
Chemical Identifiers
| CAS Number | 874-46-4 |
|---|---|
| SMILES | CC1=CC=CC=C1NC(=O)C2=CC=C(C=C2)C(=O)NC3=CC=CC=C3C |
| InChIKey | NQDLWWKEAPRXNA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
o-Terephthalotoluidide (CAS 874-46-4), with molecular formula C22H20N2O2 and molecular weight 344.15 g/mol. IUPAC: 1-N,4-N-bis(2-methylphenyl)benzene-1,4-dicarboxamide.
Chemical Property Profile of o-Terephthalotoluidide
Property Insights of o-Terephthalotoluidide
The XLogP value of 4.3 indicates that o-Terephthalotoluidide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.2 Ų, o-Terephthalotoluidide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, o-Terephthalotoluidide 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 o-Terephthalotoluidide?
The CAS number of o-Terephthalotoluidide is 874-46-4.
What is the molecular formula of o-Terephthalotoluidide?
The molecular formula of o-Terephthalotoluidide is C22H20N2O2.
What is the molecular weight of o-Terephthalotoluidide?
The molecular weight of o-Terephthalotoluidide is 344.15 g/mol.
Where can I buy o-Terephthalotoluidide?
You can request a quote for o-Terephthalotoluidide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for o-Terephthalotoluidide?
Yes, KEHONG BIO provides custom synthesis services for o-Terephthalotoluidide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.