![6-{[(3-Aminopropyl)amino]methylidene}cyclohexa-2,4-dien-1-one structure](/static/products/4272/42728-81-4.webp)
6-{[(3-Aminopropyl)amino]methylidene}cyclohexa-2,4-dien-1-one
TL;DR: 6-{[(3-Aminopropyl)amino]methylidene}cyclohexa-2,4-dien-1-one (CAS 42728-81-4) is a chemical compound with molecular formula C10H14N2O and molecular weight 178.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-aminopropyliminomethyl)phenol
Also Known As: N-Salicylidene-1,3-propanediamine, 2-(3-Aminopropyliminomethyl)phenol, 2-[(3-aminopropylimino)methyl]phenol, 2-[(3-Aminopropyl)iminomethyl]phenol, 2-{[(3-aminopropyl)imino]methyl}phenol
| Molecular Formula | C10H14N2O |
|---|---|
| Molecular Weight | 178.11 g/mol |
| LogP | 1.1599 |
| Topological Polar Surface Area | 58.61 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 178.11061 |
| Heavy Atoms | 13 |
| Complexity | 284.00818 |
Chemical Identifiers
| CAS Number | 42728-81-4 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C=NCCCN)O |
Product Overview
6-{[(3-Aminopropyl)amino]methylidene}cyclohexa-2,4-dien-1-one (CAS 42728-81-4), with molecular formula C10H14N2O and molecular weight 178.11 g/mol. IUPAC: 2-(3-aminopropyliminomethyl)phenol.
Chemical Property Profile of 6-{[(3-Aminopropyl)amino]methylidene}cyclohexa-2,4-dien-1-one
Property Insights of 6-{[(3-Aminopropyl)amino]methylidene}cyclohexa-2,4-dien-1-one
The XLogP value of 1.1599 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-{[(3-Aminopropyl)amino]methylidene}cyclohexa-2,4-dien-1-one. With a topological polar surface area (TPSA) of 58.61 Ų, 6-{[(3-Aminopropyl)amino]methylidene}cyclohexa-2,4-dien-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-{[(3-Aminopropyl)amino]methylidene}cyclohexa-2,4-dien-1-one 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 6-{[(3-Aminopropyl)amino]methylidene}cyclohexa-2,4-dien-1-one?
The CAS number of 6-{[(3-Aminopropyl)amino]methylidene}cyclohexa-2,4-dien-1-one is 42728-81-4.
What is the molecular formula of 6-{[(3-Aminopropyl)amino]methylidene}cyclohexa-2,4-dien-1-one?
The molecular formula of 6-{[(3-Aminopropyl)amino]methylidene}cyclohexa-2,4-dien-1-one is C10H14N2O.
What is the molecular weight of 6-{[(3-Aminopropyl)amino]methylidene}cyclohexa-2,4-dien-1-one?
The molecular weight of 6-{[(3-Aminopropyl)amino]methylidene}cyclohexa-2,4-dien-1-one is 178.11 g/mol.
Where can I buy 6-{[(3-Aminopropyl)amino]methylidene}cyclohexa-2,4-dien-1-one?
You can request a quote for 6-{[(3-Aminopropyl)amino]methylidene}cyclohexa-2,4-dien-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-{[(3-Aminopropyl)amino]methylidene}cyclohexa-2,4-dien-1-one?
Yes, KEHONG BIO provides custom synthesis services for 6-{[(3-Aminopropyl)amino]methylidene}cyclohexa-2,4-dien-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.