N,N-二苄基-3-氯丙-1-胺
TL;DR: N,N-二苄基-3-氯丙-1-胺 (CAS 16045-94-6) is a chemical compound with molecular formula C17H20ClN and molecular weight 273.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-二苄基-3-氯丙-1-胺
N,N-dibenzyl-3-chloropropan-1-amine
Also Known As: N,N-dibenzyl-3-chloropropan-1-amine, N,N-dibenzyl-3-chloro-1-propanamine, dibenzyl(3-chloropropyl)amine, bisbenzyl(3-chloropropyl)amine, 5127AD
| Molecular Formula | C17H20ClN |
|---|---|
| Molecular Weight | 273.13 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 3.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 7 |
| Exact Mass | 273.12842 |
| Heavy Atoms | 19 |
| Complexity | 199.0 |
Chemical Identifiers
| CAS Number | 16045-94-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN(CCCCl)CC2=CC=CC=C2 |
| InChIKey | LHJJKBNOKYQDFO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N,N-二苄基-3-氯丙-1-胺 (CAS 16045-94-6), with molecular formula C17H20ClN and molecular weight 273.13 g/mol. IUPAC: N,N-dibenzyl-3-chloropropan-1-amine.
Chemical Property Profile of N,N-二苄基-3-氯丙-1-胺
Property Insights of N,N-二苄基-3-氯丙-1-胺
The XLogP value of 4.2 indicates that N,N-二苄基-3-氯丙-1-胺 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 3.2 Ų, N,N-二苄基-3-氯丙-1-胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N,N-二苄基-3-氯丙-1-胺 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,N-二苄基-3-氯丙-1-胺?
The CAS number of N,N-二苄基-3-氯丙-1-胺 is 16045-94-6.
What is the molecular formula of N,N-二苄基-3-氯丙-1-胺?
The molecular formula of N,N-二苄基-3-氯丙-1-胺 is C17H20ClN.
What is the molecular weight of N,N-二苄基-3-氯丙-1-胺?
The molecular weight of N,N-二苄基-3-氯丙-1-胺 is 273.13 g/mol.
Where can I buy N,N-二苄基-3-氯丙-1-胺?
You can request a quote for N,N-二苄基-3-氯丙-1-胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N-二苄基-3-氯丙-1-胺?
Yes, KEHONG BIO provides custom synthesis services for N,N-二苄基-3-氯丙-1-胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.