N1-(benzofuran-2-ylmethyl)-N1,N7,N7-trimethylheptane-1,7-diamine
TL;DR: N1-(benzofuran-2-ylmethyl)-N1,N7,N7-trimethylheptane-1,7-diamine (CAS 94431-57-9) is a chemical compound with molecular formula C19H30N2O and molecular weight 302.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N'-(1-benzofuran-2-ylmethyl)-N,N,N'-trimethylheptane-1,7-diamine
Also Known As: BAS 00472022, N-Benzofuran-2-ylmethyl-N,N',N'-trimethyl-heptane-1,7-diamine, N'-(1-benzofuran-2-ylmethyl)-N,N,N'-trimethylheptane-1,7-diamine, N1-(benzofuran-2-ylmethyl)-N1,N7,N7-trimethylheptane-1,7-diamine, N~1~-(1-benzofuran-2-ylmethyl)-N~1~,N~7~,N~7~-trimethyl-1,7-heptanediamine
| Molecular Formula | C19H30N2O |
|---|---|
| Molecular Weight | 302.24 g/mol |
| LogP | 4.3767 |
| Topological Polar Surface Area | 19.62 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 10 |
| Exact Mass | 302.2358 |
| Heavy Atoms | 22 |
| Complexity | 514.1137 |
Chemical Identifiers
| CAS Number | 94431-57-9 |
|---|---|
| SMILES | CN(C)CCCCCCCN(C)CC1=CC2=CC=CC=C2O1 |
Product Overview
N1-(benzofuran-2-ylmethyl)-N1,N7,N7-trimethylheptane-1,7-diamine (CAS 94431-57-9), with molecular formula C19H30N2O and molecular weight 302.24 g/mol. IUPAC: N'-(1-benzofuran-2-ylmethyl)-N,N,N'-trimethylheptane-1,7-diamine.
Chemical Property Profile of N1-(benzofuran-2-ylmethyl)-N1,N7,N7-trimethylheptane-1,7-diamine
Property Insights of N1-(benzofuran-2-ylmethyl)-N1,N7,N7-trimethylheptane-1,7-diamine
The XLogP value of 4.3767 indicates that N1-(benzofuran-2-ylmethyl)-N1,N7,N7-trimethylheptane-1,7-diamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 19.62 Ų, N1-(benzofuran-2-ylmethyl)-N1,N7,N7-trimethylheptane-1,7-diamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N1-(benzofuran-2-ylmethyl)-N1,N7,N7-trimethylheptane-1,7-diamine has 0 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 N1-(benzofuran-2-ylmethyl)-N1,N7,N7-trimethylheptane-1,7-diamine?
The CAS number of N1-(benzofuran-2-ylmethyl)-N1,N7,N7-trimethylheptane-1,7-diamine is 94431-57-9.
What is the molecular formula of N1-(benzofuran-2-ylmethyl)-N1,N7,N7-trimethylheptane-1,7-diamine?
The molecular formula of N1-(benzofuran-2-ylmethyl)-N1,N7,N7-trimethylheptane-1,7-diamine is C19H30N2O.
What is the molecular weight of N1-(benzofuran-2-ylmethyl)-N1,N7,N7-trimethylheptane-1,7-diamine?
The molecular weight of N1-(benzofuran-2-ylmethyl)-N1,N7,N7-trimethylheptane-1,7-diamine is 302.24 g/mol.
Where can I buy N1-(benzofuran-2-ylmethyl)-N1,N7,N7-trimethylheptane-1,7-diamine?
You can request a quote for N1-(benzofuran-2-ylmethyl)-N1,N7,N7-trimethylheptane-1,7-diamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N1-(benzofuran-2-ylmethyl)-N1,N7,N7-trimethylheptane-1,7-diamine?
Yes, KEHONG BIO provides custom synthesis services for N1-(benzofuran-2-ylmethyl)-N1,N7,N7-trimethylheptane-1,7-diamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.