4-Methoxybenzylamine, N-heptafluorobutyryl-
TL;DR: 4-Methoxybenzylamine, N-heptafluorobutyryl- (CAS 545359-90-8) is a chemical compound with molecular formula C12H10F7NO2 and molecular weight 333.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,3,3,4,4,4-heptafluoro-N-[(4-methoxyphenyl)methyl]butanamide
Also Known As: N-(Perfluorobutyryl)-4-methoxybenzylamine, 4-Methoxybenzylamine, N-heptafluorobutyryl-, 2,2,3,3,4,4,4-heptafluoro-N-[(4-methoxyphenyl)methyl]butanamide, Butanamide, 2,2,3,3,4,4,4-heptafluoro-N-[(4-methoxyphenyl)methyl]-
| Molecular Formula | C12H10F7NO2 |
|---|---|
| Molecular Weight | 333.06 g/mol |
| LogP | 3.1443 |
| Topological Polar Surface Area | 38.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 333.05997 |
| Heavy Atoms | 22 |
| Complexity | 525.2715 |
Chemical Identifiers
| CAS Number | 545359-90-8 |
|---|---|
| SMILES | COC1=CC=C(C=C1)CNC(=O)C(C(C(F)(F)F)(F)F)(F)F |
Product Overview
4-Methoxybenzylamine, N-heptafluorobutyryl- (CAS 545359-90-8), with molecular formula C12H10F7NO2 and molecular weight 333.06 g/mol. IUPAC: 2,2,3,3,4,4,4-heptafluoro-N-[(4-methoxyphenyl)methyl]butanamide.
Chemical Property Profile of 4-Methoxybenzylamine, N-heptafluorobutyryl-
Property Insights of 4-Methoxybenzylamine, N-heptafluorobutyryl-
The XLogP value of 3.1443 indicates that 4-Methoxybenzylamine, N-heptafluorobutyryl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.33 Ų, 4-Methoxybenzylamine, N-heptafluorobutyryl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methoxybenzylamine, N-heptafluorobutyryl- has 1 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 4-Methoxybenzylamine, N-heptafluorobutyryl-?
The CAS number of 4-Methoxybenzylamine, N-heptafluorobutyryl- is 545359-90-8.
What is the molecular formula of 4-Methoxybenzylamine, N-heptafluorobutyryl-?
The molecular formula of 4-Methoxybenzylamine, N-heptafluorobutyryl- is C12H10F7NO2.
What is the molecular weight of 4-Methoxybenzylamine, N-heptafluorobutyryl-?
The molecular weight of 4-Methoxybenzylamine, N-heptafluorobutyryl- is 333.06 g/mol.
Where can I buy 4-Methoxybenzylamine, N-heptafluorobutyryl-?
You can request a quote for 4-Methoxybenzylamine, N-heptafluorobutyryl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methoxybenzylamine, N-heptafluorobutyryl-?
Yes, KEHONG BIO provides custom synthesis services for 4-Methoxybenzylamine, N-heptafluorobutyryl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.