N~1~-(3,4,5-Trichlorophenyl)butanediamide
TL;DR: N~1~-(3,4,5-Trichlorophenyl)butanediamide (CAS 112368-26-0) is a chemical compound with molecular formula C10H9Cl3N2O2 and molecular weight 293.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N'-(3,4,5-trichlorophenyl)butanediamide
Also Known As: N-(3,4,5-Trichlorophenyl)-succinamide, N'-(3,4,5-trichlorophenyl)butanediamide, N~1~-(3,4,5-Trichlorophenyl)butanediamide, Butanoic acid,4-oxo-4-[(3,4,5-trichlorophenyl)amino]-
| Molecular Formula | C10H9Cl3N2O2 |
|---|---|
| Molecular Weight | 293.97 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 72.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 293.97296 |
| Heavy Atoms | 17 |
| Complexity | 289.0 |
Chemical Identifiers
| CAS Number | 112368-26-0 |
|---|---|
| SMILES | C1=C(C=C(C(=C1Cl)Cl)Cl)NC(=O)CCC(=O)N |
| InChIKey | LTAGXTKEMXIGSY-UHFFFAOYSA-N |
Product Overview
N~1~-(3,4,5-Trichlorophenyl)butanediamide (CAS 112368-26-0), with molecular formula C10H9Cl3N2O2 and molecular weight 293.97 g/mol. IUPAC: N'-(3,4,5-trichlorophenyl)butanediamide.
Chemical Property Profile of N~1~-(3,4,5-Trichlorophenyl)butanediamide
Property Insights of N~1~-(3,4,5-Trichlorophenyl)butanediamide
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N~1~-(3,4,5-Trichlorophenyl)butanediamide. The TPSA of 72.2 Ų falls within the moderate polarity range, balancing permeability and solubility for N~1~-(3,4,5-Trichlorophenyl)butanediamide. Following Lipinski's Rule of Five, N~1~-(3,4,5-Trichlorophenyl)butanediamide 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 N~1~-(3,4,5-Trichlorophenyl)butanediamide?
The CAS number of N~1~-(3,4,5-Trichlorophenyl)butanediamide is 112368-26-0.
What is the molecular formula of N~1~-(3,4,5-Trichlorophenyl)butanediamide?
The molecular formula of N~1~-(3,4,5-Trichlorophenyl)butanediamide is C10H9Cl3N2O2.
What is the molecular weight of N~1~-(3,4,5-Trichlorophenyl)butanediamide?
The molecular weight of N~1~-(3,4,5-Trichlorophenyl)butanediamide is 293.97 g/mol.
Where can I buy N~1~-(3,4,5-Trichlorophenyl)butanediamide?
You can request a quote for N~1~-(3,4,5-Trichlorophenyl)butanediamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N~1~-(3,4,5-Trichlorophenyl)butanediamide?
Yes, KEHONG BIO provides custom synthesis services for N~1~-(3,4,5-Trichlorophenyl)butanediamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.