Acetone-4-p-bromophenylsemicarbazone
TL;DR: Acetone-4-p-bromophenylsemicarbazone (CAS 78002-38-7) is a chemical compound with molecular formula C10H12BrN3O and molecular weight 269.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-bromophenyl)-3-(propan-2-ylideneamino)urea
Also Known As: acetone-4-p-bromophenylsemicarbazone, acetone-[4-(4-bromo-phenyl)-semicarbazone], 1-(4-bromophenyl)-3-(propan-2-ylideneamino)urea
| Molecular Formula | C10H12BrN3O |
|---|---|
| Molecular Weight | 269.02 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 53.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 269.01636 |
| Heavy Atoms | 15 |
| Complexity | 243.0 |
Chemical Identifiers
| CAS Number | 78002-38-7 |
|---|---|
| SMILES | CC(=NNC(=O)NC1=CC=C(C=C1)Br)C |
| InChIKey | LQJRVFUXCWBJAE-UHFFFAOYSA-N |
Product Overview
Acetone-4-p-bromophenylsemicarbazone (CAS 78002-38-7), with molecular formula C10H12BrN3O and molecular weight 269.02 g/mol. IUPAC: 1-(4-bromophenyl)-3-(propan-2-ylideneamino)urea.
Chemical Property Profile of Acetone-4-p-bromophenylsemicarbazone
Property Insights of Acetone-4-p-bromophenylsemicarbazone
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetone-4-p-bromophenylsemicarbazone. With a topological polar surface area (TPSA) of 53.5 Ų, Acetone-4-p-bromophenylsemicarbazone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetone-4-p-bromophenylsemicarbazone 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 Acetone-4-p-bromophenylsemicarbazone?
The CAS number of Acetone-4-p-bromophenylsemicarbazone is 78002-38-7.
What is the molecular formula of Acetone-4-p-bromophenylsemicarbazone?
The molecular formula of Acetone-4-p-bromophenylsemicarbazone is C10H12BrN3O.
What is the molecular weight of Acetone-4-p-bromophenylsemicarbazone?
The molecular weight of Acetone-4-p-bromophenylsemicarbazone is 269.02 g/mol.
Where can I buy Acetone-4-p-bromophenylsemicarbazone?
You can request a quote for Acetone-4-p-bromophenylsemicarbazone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetone-4-p-bromophenylsemicarbazone?
Yes, KEHONG BIO provides custom synthesis services for Acetone-4-p-bromophenylsemicarbazone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.