1-Acetyl-4-(3-chlorophenyl)semicarbazide
TL;DR: 1-Acetyl-4-(3-chlorophenyl)semicarbazide (CAS 111075-90-2) is a chemical compound with molecular formula C9H10ClN3O2 and molecular weight 227.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-acetamido-3-(3-chlorophenyl)urea
Also Known As: 1-acetamido-3-(3-chlorophenyl)urea, 1-ACETYL-4-(3-CHLOROPHENYL)SEMICARBAZIDE, 3-acetamido-1-(3-chlorophenyl)urea, 1,3,5-Dioxaphosphorinane,2,2,5-trimethyl, J1.556.971I
| Molecular Formula | C9H10ClN3O2 |
|---|---|
| Molecular Weight | 227.05 g/mol |
| LogP | 1.5126 |
| Topological Polar Surface Area | 70.23 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 227.04616 |
| Heavy Atoms | 15 |
| Complexity | 381.37512 |
Chemical Identifiers
| CAS Number | 111075-90-2 |
|---|---|
| SMILES | CC(=O)NNC(=O)NC1=CC(=CC=C1)Cl |
Product Overview
1-Acetyl-4-(3-chlorophenyl)semicarbazide (CAS 111075-90-2), with molecular formula C9H10ClN3O2 and molecular weight 227.05 g/mol. IUPAC: 1-acetamido-3-(3-chlorophenyl)urea.
Chemical Property Profile of 1-Acetyl-4-(3-chlorophenyl)semicarbazide
Property Insights of 1-Acetyl-4-(3-chlorophenyl)semicarbazide
The XLogP value of 1.5126 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Acetyl-4-(3-chlorophenyl)semicarbazide. The TPSA of 70.23 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Acetyl-4-(3-chlorophenyl)semicarbazide. Following Lipinski's Rule of Five, 1-Acetyl-4-(3-chlorophenyl)semicarbazide has 3 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 1-Acetyl-4-(3-chlorophenyl)semicarbazide?
The CAS number of 1-Acetyl-4-(3-chlorophenyl)semicarbazide is 111075-90-2.
What is the molecular formula of 1-Acetyl-4-(3-chlorophenyl)semicarbazide?
The molecular formula of 1-Acetyl-4-(3-chlorophenyl)semicarbazide is C9H10ClN3O2.
What is the molecular weight of 1-Acetyl-4-(3-chlorophenyl)semicarbazide?
The molecular weight of 1-Acetyl-4-(3-chlorophenyl)semicarbazide is 227.05 g/mol.
Where can I buy 1-Acetyl-4-(3-chlorophenyl)semicarbazide?
You can request a quote for 1-Acetyl-4-(3-chlorophenyl)semicarbazide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Acetyl-4-(3-chlorophenyl)semicarbazide?
Yes, KEHONG BIO provides custom synthesis services for 1-Acetyl-4-(3-chlorophenyl)semicarbazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.