3,3-Bis(4-aminophenyl)-2-butanone
TL;DR: 3,3-Bis(4-aminophenyl)-2-butanone (CAS 2686-47-7) is a chemical compound with molecular formula C16H18N2O and molecular weight 254.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3-bis(4-aminophenyl)butan-2-one
Also Known As: Amphenone B, amphenone, Amphenon B, 3,3-bis(4-aminophenyl)butan-2-one, AMPHENONE B [MI]
| Molecular Formula | C16H18N2O |
|---|---|
| Molecular Weight | 254.14 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 69.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 254.1419 |
| Heavy Atoms | 19 |
| Complexity | 291.0 |
Chemical Identifiers
| CAS Number | 2686-47-7 |
|---|---|
| SMILES | CC(=O)C(C)(C1=CC=C(C=C1)N)C2=CC=C(C=C2)N |
| InChIKey | MKBVGNJXUNEBAL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,3-Bis(4-aminophenyl)-2-butanone (CAS 2686-47-7), with molecular formula C16H18N2O and molecular weight 254.14 g/mol. IUPAC: 3,3-bis(4-aminophenyl)butan-2-one.
Chemical Property Profile of 3,3-Bis(4-aminophenyl)-2-butanone
Property Insights of 3,3-Bis(4-aminophenyl)-2-butanone
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,3-Bis(4-aminophenyl)-2-butanone. The TPSA of 69.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,3-Bis(4-aminophenyl)-2-butanone. Following Lipinski's Rule of Five, 3,3-Bis(4-aminophenyl)-2-butanone 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 3,3-Bis(4-aminophenyl)-2-butanone?
The CAS number of 3,3-Bis(4-aminophenyl)-2-butanone is 2686-47-7.
What is the molecular formula of 3,3-Bis(4-aminophenyl)-2-butanone?
The molecular formula of 3,3-Bis(4-aminophenyl)-2-butanone is C16H18N2O.
What is the molecular weight of 3,3-Bis(4-aminophenyl)-2-butanone?
The molecular weight of 3,3-Bis(4-aminophenyl)-2-butanone is 254.14 g/mol.
Where can I buy 3,3-Bis(4-aminophenyl)-2-butanone?
You can request a quote for 3,3-Bis(4-aminophenyl)-2-butanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3-Bis(4-aminophenyl)-2-butanone?
Yes, KEHONG BIO provides custom synthesis services for 3,3-Bis(4-aminophenyl)-2-butanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.