UPCMLD0ENAT5751759:001
TL;DR: UPCMLD0ENAT5751759:001 (CAS 849002-63-7) is a chemical compound with molecular formula C32H31N5 and molecular weight 485.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-benzylpiperazin-1-yl)-3-methyl-2-[(4-methylphenyl)methyl]pyrido[1,2-a]benzimidazole-4-carbonitrile
Also Known As: UPCMLD0ENAT5751759:001, 1-(4-benzylpiperazin-1-yl)-3-methyl-2-(4-methylbenzyl)benzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile, 1-(4-benzylpiperazin-1-yl)-3-methyl-2-(4-methylbenzyl)pyrido[1,2-a]benzimidazole-4-carbonitrile, 1-(4-benzylpiperazin-1-yl)-3-methyl-2-[(4-methylphenyl)methyl]pyrido[1,2-a]benzimidazole-4-carbonitrile, 2-methyl-3-[(4-methylphenyl)methyl]-4-[4-benzylpiperazinyl]-5-hydropyridino[1, 2-a]benzimidazolecarbonitrile
| Molecular Formula | C32H31N5 |
|---|---|
| Molecular Weight | 485.26 g/mol |
| LogP | 5.88902 |
| Topological Polar Surface Area | 47.57 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 485.25793 |
| Heavy Atoms | 37 |
| Complexity | 1601.4556 |
Chemical Identifiers
| CAS Number | 849002-63-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CC2=C(N3C4=CC=CC=C4N=C3C(=C2C)C#N)N5CCN(CC5)CC6=CC=CC=C6 |
Product Overview
UPCMLD0ENAT5751759:001 (CAS 849002-63-7), with molecular formula C32H31N5 and molecular weight 485.26 g/mol. IUPAC: 1-(4-benzylpiperazin-1-yl)-3-methyl-2-[(4-methylphenyl)methyl]pyrido[1,2-a]benzimidazole-4-carbonitrile.
Chemical Property Profile of UPCMLD0ENAT5751759:001
Property Insights of UPCMLD0ENAT5751759:001
The XLogP value of 5.88902 indicates that UPCMLD0ENAT5751759:001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.57 Ų, UPCMLD0ENAT5751759:001 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, UPCMLD0ENAT5751759:001 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of UPCMLD0ENAT5751759:001?
The CAS number of UPCMLD0ENAT5751759:001 is 849002-63-7.
What is the molecular formula of UPCMLD0ENAT5751759:001?
The molecular formula of UPCMLD0ENAT5751759:001 is C32H31N5.
What is the molecular weight of UPCMLD0ENAT5751759:001?
The molecular weight of UPCMLD0ENAT5751759:001 is 485.26 g/mol.
Where can I buy UPCMLD0ENAT5751759:001?
You can request a quote for UPCMLD0ENAT5751759:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5751759:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5751759:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.