1-(3,4-Diaminophenyl)ethanone
TL;DR: 1-(3,4-Diaminophenyl)ethanone (CAS 21304-39-2) is a chemical compound with molecular formula C8H10N2O and molecular weight 150.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,4-diaminophenyl)ethanone
Also Known As: 1-(3,4-diaminophenyl)ethanone, 3-4-diaminoacetophenone, 1-(3,4-diaminophenyl)ethan-1-one, 3',4'-Diaminoacetophenone, aniline, 4-acetyl-2-amino-
| Molecular Formula | C8H10N2O |
|---|---|
| Molecular Weight | 150.08 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 69.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 150.07932 |
| Heavy Atoms | 11 |
| Complexity | 158.0 |
Chemical Identifiers
| CAS Number | 21304-39-2 |
|---|---|
| SMILES | CC(=O)C1=CC(=C(C=C1)N)N |
| InChIKey | FFVSGYAQHXJFAL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(3,4-Diaminophenyl)ethanone (CAS 21304-39-2), with molecular formula C8H10N2O and molecular weight 150.08 g/mol. IUPAC: 1-(3,4-diaminophenyl)ethanone.
Chemical Property Profile of 1-(3,4-Diaminophenyl)ethanone
Property Insights of 1-(3,4-Diaminophenyl)ethanone
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3,4-Diaminophenyl)ethanone. The TPSA of 69.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3,4-Diaminophenyl)ethanone. Following Lipinski's Rule of Five, 1-(3,4-Diaminophenyl)ethanone has 2 hydrogen bond donor(s) and 3 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-(3,4-Diaminophenyl)ethanone?
The CAS number of 1-(3,4-Diaminophenyl)ethanone is 21304-39-2.
What is the molecular formula of 1-(3,4-Diaminophenyl)ethanone?
The molecular formula of 1-(3,4-Diaminophenyl)ethanone is C8H10N2O.
What is the molecular weight of 1-(3,4-Diaminophenyl)ethanone?
The molecular weight of 1-(3,4-Diaminophenyl)ethanone is 150.08 g/mol.
Where can I buy 1-(3,4-Diaminophenyl)ethanone?
You can request a quote for 1-(3,4-Diaminophenyl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3,4-Diaminophenyl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(3,4-Diaminophenyl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.