RefChem:245186
TL;DR: RefChem:245186 (CAS 77917-54-5) is a chemical compound with molecular formula C23H21ClN4O2 and molecular weight 420.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-4-[[4-[(5-chloro-2-pyridinyl)amino]phenyl]methyl]piperazine-2,3-dione
Also Known As: 2,3-Piperazinedione, 1-((4-((5-chloro-2-pyridinyl)amino)phenyl)methyl)-4-(phenylmethyl)-, 1-((4-((5-Chloro-2-pyridinyl)amino)phenyl)methyl)-4-(phenylmethyl)-2,3-piperazinedione, 1-Benzyl-4-({4-[(5-chloropyridin-2-yl)amino]phenyl}methyl)piperazine-2,3-dione, 1-benzyl-4-[[4-[(5-chloropyridin-2-yl)amino]phenyl]methyl]piperazine-2,3-dione, BRN 5648675
| Molecular Formula | C23H21ClN4O2 |
|---|---|
| Molecular Weight | 420.14 g/mol |
| LogP | 3.8496 |
| Topological Polar Surface Area | 65.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 420.1353 |
| Heavy Atoms | 30 |
| Complexity | 1023.33344 |
Chemical Identifiers
| CAS Number | 77917-54-5 |
|---|---|
| SMILES | C1CN(C(=O)C(=O)N1CC2=CC=CC=C2)CC3=CC=C(C=C3)NC4=NC=C(C=C4)Cl |
Product Overview
RefChem:245186 (CAS 77917-54-5), with molecular formula C23H21ClN4O2 and molecular weight 420.14 g/mol. IUPAC: 1-benzyl-4-[[4-[(5-chloro-2-pyridinyl)amino]phenyl]methyl]piperazine-2,3-dione.
Chemical Property Profile of RefChem:245186
Property Insights of RefChem:245186
The XLogP value of 3.8496 indicates that RefChem:245186 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.54 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:245186. Following Lipinski's Rule of Five, RefChem:245186 has 1 hydrogen bond donor(s) and 4 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 RefChem:245186?
The CAS number of RefChem:245186 is 77917-54-5.
What is the molecular formula of RefChem:245186?
The molecular formula of RefChem:245186 is C23H21ClN4O2.
What is the molecular weight of RefChem:245186?
The molecular weight of RefChem:245186 is 420.14 g/mol.
Where can I buy RefChem:245186?
You can request a quote for RefChem:245186 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:245186?
Yes, KEHONG BIO provides custom synthesis services for RefChem:245186 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.