6-(Butylaminomethylidene)-3-methoxycyclohexa-2,4-dien-1-one
TL;DR: 6-(Butylaminomethylidene)-3-methoxycyclohexa-2,4-dien-1-one (CAS 1030838-03-9) is a chemical compound with molecular formula C12H17NO2 and molecular weight 207.12593 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(butyliminomethyl)-5-methoxyphenol
Also Known As: N-(4-Methoxysalicylidene)butylamine, 2-[(butylimino)methyl]-5-methoxyphenol, Phenol,2-[(butylimino)methyl]-5-methoxy, 6-(butylaminomethylidene)-3-methoxycyclohexa-2,4-dien-1-one, N-(2-hydroxy-4-methoxybenzylidene)-1-butylamine
Technical Specifications
| Molecular Formula | C12H17NO2 |
| Molecular Weight | 207.12593 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 41.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 207.12593 Da |
| Heavy Atoms | 15 |
| Complexity | 194.0 |
| SMILES | CCCCN=CC1=C(C=C(C=C1)OC)O |
| InChIKey | KMFPAGQJOWVIHY-UHFFFAOYSA-N |
Chemical Property Profile of 6-(Butylaminomethylidene)-3-methoxycyclohexa-2,4-dien-1-one
Property Insights of 6-(Butylaminomethylidene)-3-methoxycyclohexa-2,4-dien-1-one
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-(Butylaminomethylidene)-3-methoxycyclohexa-2,4-dien-1-one. With a topological polar surface area (TPSA) of 41.8 Ų, 6-(Butylaminomethylidene)-3-methoxycyclohexa-2,4-dien-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-(Butylaminomethylidene)-3-methoxycyclohexa-2,4-dien-1-one has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 6-(Butylaminomethylidene)-3-methoxycyclohexa-2,4-dien-1-one?
The CAS number of 6-(Butylaminomethylidene)-3-methoxycyclohexa-2,4-dien-1-one is 1030838-03-9.
What is the molecular formula of 6-(Butylaminomethylidene)-3-methoxycyclohexa-2,4-dien-1-one?
The molecular formula of 6-(Butylaminomethylidene)-3-methoxycyclohexa-2,4-dien-1-one is C12H17NO2.
What is the molecular weight of 6-(Butylaminomethylidene)-3-methoxycyclohexa-2,4-dien-1-one?
The molecular weight of 6-(Butylaminomethylidene)-3-methoxycyclohexa-2,4-dien-1-one is 207.12593 g/mol.
Where can I buy 6-(Butylaminomethylidene)-3-methoxycyclohexa-2,4-dien-1-one?
You can request a quote for 6-(Butylaminomethylidene)-3-methoxycyclohexa-2,4-dien-1-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 6-(Butylaminomethylidene)-3-methoxycyclohexa-2,4-dien-1-one?
Yes, CoreyChem provides custom synthesis services for 6-(Butylaminomethylidene)-3-methoxycyclohexa-2,4-dien-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.