3-Chlorobenzaldehyde semicarbazone
TL;DR: 3-Chlorobenzaldehyde semicarbazone (CAS 16678-40-3) is a chemical compound with molecular formula C8H8ClN3O and molecular weight 197.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(E)-(3-chlorophenyl)methylideneamino]urea
Also Known As: 3-Chlorobenzaldehyde semicarbazone, 3-chloro-benzaldehyde-semicarbazone, (E)-1-(3-chlorobenzylidene)semicarbazide, [(E)-(3-chlorophenyl)methyleneamino]urea, {[(3-chlorophenyl)methylidene]amino}urea
| Molecular Formula | C8H8ClN3O |
|---|---|
| Molecular Weight | 197.04 g/mol |
| LogP | 1.3422 |
| Topological Polar Surface Area | 67.48 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 197.03558 |
| Heavy Atoms | 13 |
| Complexity | 337.91595 |
Chemical Identifiers
| CAS Number | 16678-40-3 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Cl)/C=N/NC(=O)N |
Product Overview
3-Chlorobenzaldehyde semicarbazone (CAS 16678-40-3), with molecular formula C8H8ClN3O and molecular weight 197.04 g/mol. IUPAC: [(E)-(3-chlorophenyl)methylideneamino]urea.
Chemical Property Profile of 3-Chlorobenzaldehyde semicarbazone
Property Insights of 3-Chlorobenzaldehyde semicarbazone
The XLogP value of 1.3422 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Chlorobenzaldehyde semicarbazone. The TPSA of 67.48 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Chlorobenzaldehyde semicarbazone. Following Lipinski's Rule of Five, 3-Chlorobenzaldehyde semicarbazone 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 3-Chlorobenzaldehyde semicarbazone?
The CAS number of 3-Chlorobenzaldehyde semicarbazone is 16678-40-3.
What is the molecular formula of 3-Chlorobenzaldehyde semicarbazone?
The molecular formula of 3-Chlorobenzaldehyde semicarbazone is C8H8ClN3O.
What is the molecular weight of 3-Chlorobenzaldehyde semicarbazone?
The molecular weight of 3-Chlorobenzaldehyde semicarbazone is 197.04 g/mol.
Where can I buy 3-Chlorobenzaldehyde semicarbazone?
You can request a quote for 3-Chlorobenzaldehyde semicarbazone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chlorobenzaldehyde semicarbazone?
Yes, KEHONG BIO provides custom synthesis services for 3-Chlorobenzaldehyde semicarbazone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.