N-丁基-3,5-二氟苯甲胺
TL;DR: N-丁基-3,5-二氟苯甲胺 (CAS 90390-31-1) is a chemical compound with molecular formula C11H15F2N and molecular weight 199.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-丁基-3,5-二氟苯甲胺
N-[(3,5-difluorophenyl)methyl]butan-1-amine
Also Known As: Benzylamine der, Benzenemethanamine, N-butyl-3,5-difluoro-, N-butyl-3,5-difluorobenzylamine, Butyl-(3,5-difluoro-benzyl)-amine, N-[(3,5-difluorophenyl)methyl]butan-1-amine
| Molecular Formula | C11H15F2N |
|---|---|
| Molecular Weight | 199.12 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 12.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 199.11725 |
| Heavy Atoms | 14 |
| Complexity | 142.0 |
Chemical Identifiers
| CAS Number | 90390-31-1 |
|---|---|
| SMILES | CCCCNCC1=CC(=CC(=C1)F)F |
| InChIKey | MRVMVGPOWMSSDI-UHFFFAOYSA-N |
Product Overview
N-丁基-3,5-二氟苯甲胺 (CAS 90390-31-1), with molecular formula C11H15F2N and molecular weight 199.12 g/mol. IUPAC: N-[(3,5-difluorophenyl)methyl]butan-1-amine.
Chemical Property Profile of N-丁基-3,5-二氟苯甲胺
Property Insights of N-丁基-3,5-二氟苯甲胺
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-丁基-3,5-二氟苯甲胺. With a topological polar surface area (TPSA) of 12.0 Ų, N-丁基-3,5-二氟苯甲胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-丁基-3,5-二氟苯甲胺 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
Frequently Asked Questions
What is the CAS number of N-丁基-3,5-二氟苯甲胺?
The CAS number of N-丁基-3,5-二氟苯甲胺 is 90390-31-1.
What is the molecular formula of N-丁基-3,5-二氟苯甲胺?
The molecular formula of N-丁基-3,5-二氟苯甲胺 is C11H15F2N.
What is the molecular weight of N-丁基-3,5-二氟苯甲胺?
The molecular weight of N-丁基-3,5-二氟苯甲胺 is 199.12 g/mol.
Where can I buy N-丁基-3,5-二氟苯甲胺?
You can request a quote for N-丁基-3,5-二氟苯甲胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-丁基-3,5-二氟苯甲胺?
Yes, KEHONG BIO provides custom synthesis services for N-丁基-3,5-二氟苯甲胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.