A2391/0101189
TL;DR: A2391/0101189 (CAS 347355-01-5) is a chemical compound with molecular formula C25H25ClN4O3 and molecular weight 464.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[3-[(4-chlorophenyl)methylamino]-4-nitrophenyl]piperazin-1-yl]-(4-methylphenyl)methanone
Also Known As: A2391/0101189, [4-[3-[(4-chlorophenyl)methylamino]-4-nitrophenyl]piperazin-1-yl]-(4-methylphenyl)methanone, (4-{3-[(4-chlorobenzyl)amino]-4-nitrophenyl}piperazin-1-yl)(4-methylphenyl)methanone, 4-(3-{[(4-chlorophenyl)methyl]amino}-4-nitrophenyl)piperazinyl 4-methylphenyl ketone, N-[(4-CHLOROPHENYL)METHYL]-5-[4-(4-METHYLBENZOYL)PIPERAZIN-1-YL]-2-NITROANILINE
| Molecular Formula | C25H25ClN4O3 |
|---|---|
| Molecular Weight | 464.16 g/mol |
| LogP | 5.13112 |
| Topological Polar Surface Area | 78.72 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 464.16153 |
| Heavy Atoms | 33 |
| Complexity | 1141.3186 |
Chemical Identifiers
| CAS Number | 347355-01-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])NCC4=CC=C(C=C4)Cl |
Product Overview
A2391/0101189 (CAS 347355-01-5), with molecular formula C25H25ClN4O3 and molecular weight 464.16 g/mol. IUPAC: [4-[3-[(4-chlorophenyl)methylamino]-4-nitrophenyl]piperazin-1-yl]-(4-methylphenyl)methanone.
Chemical Property Profile of A2391/0101189
Property Insights of A2391/0101189
The XLogP value of 5.13112 indicates that A2391/0101189 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.72 Ų falls within the moderate polarity range, balancing permeability and solubility for A2391/0101189. Following Lipinski's Rule of Five, A2391/0101189 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A2391/0101189?
The CAS number of A2391/0101189 is 347355-01-5.
What is the molecular formula of A2391/0101189?
The molecular formula of A2391/0101189 is C25H25ClN4O3.
What is the molecular weight of A2391/0101189?
The molecular weight of A2391/0101189 is 464.16 g/mol.
Where can I buy A2391/0101189?
You can request a quote for A2391/0101189 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2391/0101189?
Yes, KEHONG BIO provides custom synthesis services for A2391/0101189 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.