N-异丁基-1,4-苯并二噁烷-2-甲胺
TL;DR: N-异丁基-1,4-苯并二噁烷-2-甲胺 (CAS 4442-62-0) is a chemical compound with molecular formula C13H19NO2 and molecular weight 221.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-异丁基-1,4-苯并二噁烷-2-甲胺
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-methylpropan-1-amine
Also Known As: Isobutylaminomethylbenzodioxan, Fourneau 1053, ChemDiv3_006945, N-Isobutyl-1,4-benzodioxan-2-methylamine, 1,4-BENZODIOXAN-2-METHYLAMINE, N-ISOBUTYL-
| Molecular Formula | C13H19NO2 |
|---|---|
| Molecular Weight | 221.14 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 30.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 221.14159 |
| Heavy Atoms | 16 |
| Complexity | 208.0 |
Chemical Identifiers
| CAS Number | 4442-62-0 |
|---|---|
| SMILES | CC(C)CNCC1COC2=CC=CC=C2O1 |
| InChIKey | TWGSUHAQGNJLBP-UHFFFAOYSA-N |
Product Overview
N-异丁基-1,4-苯并二噁烷-2-甲胺 (CAS 4442-62-0), with molecular formula C13H19NO2 and molecular weight 221.14 g/mol. IUPAC: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-methylpropan-1-amine.
Chemical Property Profile of N-异丁基-1,4-苯并二噁烷-2-甲胺
Property Insights of N-异丁基-1,4-苯并二噁烷-2-甲胺
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-异丁基-1,4-苯并二噁烷-2-甲胺. With a topological polar surface area (TPSA) of 30.5 Ų, N-异丁基-1,4-苯并二噁烷-2-甲胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-异丁基-1,4-苯并二噁烷-2-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-异丁基-1,4-苯并二噁烷-2-甲胺?
The CAS number of N-异丁基-1,4-苯并二噁烷-2-甲胺 is 4442-62-0.
What is the molecular formula of N-异丁基-1,4-苯并二噁烷-2-甲胺?
The molecular formula of N-异丁基-1,4-苯并二噁烷-2-甲胺 is C13H19NO2.
What is the molecular weight of N-异丁基-1,4-苯并二噁烷-2-甲胺?
The molecular weight of N-异丁基-1,4-苯并二噁烷-2-甲胺 is 221.14 g/mol.
Where can I buy N-异丁基-1,4-苯并二噁烷-2-甲胺?
You can request a quote for N-异丁基-1,4-苯并二噁烷-2-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-异丁基-1,4-苯并二噁烷-2-甲胺?
Yes, KEHONG BIO provides custom synthesis services for N-异丁基-1,4-苯并二噁烷-2-甲胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.