N-(2-氯乙基)二苄胺N-氧化物
TL;DR: N-(2-氯乙基)二苄胺N-氧化物 (CAS 109475-78-7) is a chemical compound with molecular formula C16H18ClNO and molecular weight 275.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-氯乙基)二苄胺N-氧化物
N,N-dibenzyl-2-chloroethanamine oxide
Also Known As: N-(2-Chloroethyl)dibenzylamine N-oxide, N,N-dibenzyl-2-chloroethanamine oxide, DIBENZYLAMINE, N-(2-CHLOROETHYL)-, N-OXIDE, 4-12-00-02181 (Beilstein Handbook Reference), N,N-Dibenzyl-2-chloroethan-1-amine N-oxide
| Molecular Formula | C16H18ClNO |
|---|---|
| Molecular Weight | 275.11 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 18.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 6 |
| Exact Mass | 275.1077 |
| Heavy Atoms | 19 |
| Complexity | 227.0 |
Chemical Identifiers
| CAS Number | 109475-78-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)C[N+](CCCl)(CC2=CC=CC=C2)[O-] |
| InChIKey | OPOHQFMDKSJDMD-UHFFFAOYSA-N |
Product Overview
N-(2-氯乙基)二苄胺N-氧化物 (CAS 109475-78-7), with molecular formula C16H18ClNO and molecular weight 275.11 g/mol. IUPAC: N,N-dibenzyl-2-chloroethanamine oxide.
Chemical Property Profile of N-(2-氯乙基)二苄胺N-氧化物
Property Insights of N-(2-氯乙基)二苄胺N-氧化物
The XLogP value of 3.3 indicates that N-(2-氯乙基)二苄胺N-氧化物 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 18.1 Ų, N-(2-氯乙基)二苄胺N-氧化物 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(2-氯乙基)二苄胺N-氧化物 has 0 hydrogen bond donor(s) and 1 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-(2-氯乙基)二苄胺N-氧化物?
The CAS number of N-(2-氯乙基)二苄胺N-氧化物 is 109475-78-7.
What is the molecular formula of N-(2-氯乙基)二苄胺N-氧化物?
The molecular formula of N-(2-氯乙基)二苄胺N-氧化物 is C16H18ClNO.
What is the molecular weight of N-(2-氯乙基)二苄胺N-氧化物?
The molecular weight of N-(2-氯乙基)二苄胺N-氧化物 is 275.11 g/mol.
Where can I buy N-(2-氯乙基)二苄胺N-氧化物?
You can request a quote for N-(2-氯乙基)二苄胺N-氧化物 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-氯乙基)二苄胺N-氧化物?
Yes, KEHONG BIO provides custom synthesis services for N-(2-氯乙基)二苄胺N-氧化物 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.