Benzoic acid, 2-(((2-chloroethyl)nitrosoamino)carbonyl)hydrazide
TL;DR: Benzoic acid, 2-(((2-chloroethyl)nitrosoamino)carbonyl)hydrazide (CAS 147217-61-6) is a chemical compound with molecular formula C10H11ClN4O3 and molecular weight 270.05197 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-benzamido-1-(2-chloroethyl)-1-nitrosourea
Also Known As: 4-Benzoyl-1-(2-chloroethyl)-1-nitrosohydrazine carboxamide, 3-benzamido-1-(2-chloroethyl)-1-nitrosourea, Benzoic acid, 2-(((2-chloroethyl)nitrosoamino)carbonyl)hydrazide, 1-Oxo-2-(2-chloroethyl)-5-benzoylcarbonohydrazide, N-{[N-(2-CHLOROETHYL)-N'-OXOHYDRAZINECARBONYL]AMINO}BENZAMIDE
Technical Specifications
| Molecular Formula | C10H11ClN4O3 |
| Molecular Weight | 270.05197 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 90.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 270.05197 Da |
| Heavy Atoms | 18 |
| Complexity | 307.0 |
| SMILES | C1=CC=C(C=C1)C(=O)NNC(=O)N(CCCl)N=O |
| InChIKey | VJSWMONHDCQBKG-UHFFFAOYSA-N |
Chemical Property Profile of Benzoic acid, 2-(((2-chloroethyl)nitrosoamino)carbonyl)hydrazide
Property Insights of Benzoic acid, 2-(((2-chloroethyl)nitrosoamino)carbonyl)hydrazide
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 2-(((2-chloroethyl)nitrosoamino)carbonyl)hydrazide. The TPSA of 90.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 2-(((2-chloroethyl)nitrosoamino)carbonyl)hydrazide. Following Lipinski's Rule of Five, Benzoic acid, 2-(((2-chloroethyl)nitrosoamino)carbonyl)hydrazide has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Benzoic acid, 2-(((2-chloroethyl)nitrosoamino)carbonyl)hydrazide?
The CAS number of Benzoic acid, 2-(((2-chloroethyl)nitrosoamino)carbonyl)hydrazide is 147217-61-6.
What is the molecular formula of Benzoic acid, 2-(((2-chloroethyl)nitrosoamino)carbonyl)hydrazide?
The molecular formula of Benzoic acid, 2-(((2-chloroethyl)nitrosoamino)carbonyl)hydrazide is C10H11ClN4O3.
What is the molecular weight of Benzoic acid, 2-(((2-chloroethyl)nitrosoamino)carbonyl)hydrazide?
The molecular weight of Benzoic acid, 2-(((2-chloroethyl)nitrosoamino)carbonyl)hydrazide is 270.05197 g/mol.
Where can I buy Benzoic acid, 2-(((2-chloroethyl)nitrosoamino)carbonyl)hydrazide?
You can request a quote for Benzoic acid, 2-(((2-chloroethyl)nitrosoamino)carbonyl)hydrazide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzoic acid, 2-(((2-chloroethyl)nitrosoamino)carbonyl)hydrazide?
Yes, CoreyChem provides custom synthesis services for Benzoic acid, 2-(((2-chloroethyl)nitrosoamino)carbonyl)hydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.