4-(1,1-Dimethylethyl)benzoic acid 2-(2-chloroacetyl)hydrazide
TL;DR: 4-(1,1-Dimethylethyl)benzoic acid 2-(2-chloroacetyl)hydrazide (CAS 874594-88-4) is a chemical compound with molecular formula C13H17ClN2O2 and molecular weight 268.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-tert-butyl-N'-(2-chloroacetyl)benzohydrazide
Also Known As: 4-tert-butyl-N'-(2-chloroacetyl)benzohydrazide, 4-tert-butyl-N'-(chloroacetyl)benzohydrazide, UPCMLD0ENAT5474617:001, N'-(4-tert-butylbenzoyl)-2-chloroacetohydrazide, 4-(1,1-Dimethylethyl)benzoic acid 2-(2-chloroacetyl)hydrazide
| Molecular Formula | C13H17ClN2O2 |
|---|---|
| Molecular Weight | 268.10 g/mol |
| LogP | 1.9839 |
| Topological Polar Surface Area | 58.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 268.09787 |
| Heavy Atoms | 18 |
| Complexity | 435.29962 |
Chemical Identifiers
| CAS Number | 874594-88-4 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C(=O)NNC(=O)CCl |
Product Overview
4-(1,1-Dimethylethyl)benzoic acid 2-(2-chloroacetyl)hydrazide (CAS 874594-88-4), with molecular formula C13H17ClN2O2 and molecular weight 268.10 g/mol. IUPAC: 4-tert-butyl-N'-(2-chloroacetyl)benzohydrazide.
Chemical Property Profile of 4-(1,1-Dimethylethyl)benzoic acid 2-(2-chloroacetyl)hydrazide
Property Insights of 4-(1,1-Dimethylethyl)benzoic acid 2-(2-chloroacetyl)hydrazide
The XLogP value of 1.9839 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(1,1-Dimethylethyl)benzoic acid 2-(2-chloroacetyl)hydrazide. With a topological polar surface area (TPSA) of 58.2 Ų, 4-(1,1-Dimethylethyl)benzoic acid 2-(2-chloroacetyl)hydrazide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(1,1-Dimethylethyl)benzoic acid 2-(2-chloroacetyl)hydrazide 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 4-(1,1-Dimethylethyl)benzoic acid 2-(2-chloroacetyl)hydrazide?
The CAS number of 4-(1,1-Dimethylethyl)benzoic acid 2-(2-chloroacetyl)hydrazide is 874594-88-4.
What is the molecular formula of 4-(1,1-Dimethylethyl)benzoic acid 2-(2-chloroacetyl)hydrazide?
The molecular formula of 4-(1,1-Dimethylethyl)benzoic acid 2-(2-chloroacetyl)hydrazide is C13H17ClN2O2.
What is the molecular weight of 4-(1,1-Dimethylethyl)benzoic acid 2-(2-chloroacetyl)hydrazide?
The molecular weight of 4-(1,1-Dimethylethyl)benzoic acid 2-(2-chloroacetyl)hydrazide is 268.10 g/mol.
Where can I buy 4-(1,1-Dimethylethyl)benzoic acid 2-(2-chloroacetyl)hydrazide?
You can request a quote for 4-(1,1-Dimethylethyl)benzoic acid 2-(2-chloroacetyl)hydrazide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(1,1-Dimethylethyl)benzoic acid 2-(2-chloroacetyl)hydrazide?
Yes, KEHONG BIO provides custom synthesis services for 4-(1,1-Dimethylethyl)benzoic acid 2-(2-chloroacetyl)hydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.