UPCMLD0ENAT5742619:001
TL;DR: UPCMLD0ENAT5742619:001 (CAS 442572-87-4) is a chemical compound with molecular formula C29H36N6 and molecular weight 468.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-butyl-1-[4-[2-(2,5-dimethylpyrrol-1-yl)ethyl]piperazin-1-yl]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
Also Known As: UPCMLD0ENAT5742619:001, 2-butyl-1-{4-[2-(2,5-dimethyl-1H-pyrrol-1-yl)ethyl]piperazin-1-yl}-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile, 2-butyl-1-(4-(2-(2,5-dimethyl-1H-pyrrol-1-yl)ethyl)piperazin-1-yl)-3-methylbenzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile, 2-butyl-1-[4-[2-(2,5-dimethylpyrrol-1-yl)ethyl]piperazin-1-yl]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile, 2-BUTYL-1-{4-[2-(2,5-DIMETHYL-1H-PYRROL-1-YL)ETHYL]-1-PIPERAZINYL}-3-METHYLPYRIDO[1,2-A]BENZIMIDAZOLE-4-CARBONITRILE
| Molecular Formula | C29H36N6 |
|---|---|
| Molecular Weight | 468.30 g/mol |
| LogP | 5.25074 |
| Topological Polar Surface Area | 52.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 468.30014 |
| Heavy Atoms | 35 |
| Complexity | 1375.0675 |
Chemical Identifiers
| CAS Number | 442572-87-4 |
|---|---|
| SMILES | CCCCC1=C(N2C3=CC=CC=C3N=C2C(=C1C)C#N)N4CCN(CC4)CCN5C(=CC=C5C)C |
Product Overview
UPCMLD0ENAT5742619:001 (CAS 442572-87-4), with molecular formula C29H36N6 and molecular weight 468.30 g/mol. IUPAC: 2-butyl-1-[4-[2-(2,5-dimethylpyrrol-1-yl)ethyl]piperazin-1-yl]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile.
Chemical Property Profile of UPCMLD0ENAT5742619:001
Property Insights of UPCMLD0ENAT5742619:001
The XLogP value of 5.25074 indicates that UPCMLD0ENAT5742619:001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.5 Ų, UPCMLD0ENAT5742619:001 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, UPCMLD0ENAT5742619:001 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 UPCMLD0ENAT5742619:001?
The CAS number of UPCMLD0ENAT5742619:001 is 442572-87-4.
What is the molecular formula of UPCMLD0ENAT5742619:001?
The molecular formula of UPCMLD0ENAT5742619:001 is C29H36N6.
What is the molecular weight of UPCMLD0ENAT5742619:001?
The molecular weight of UPCMLD0ENAT5742619:001 is 468.30 g/mol.
Where can I buy UPCMLD0ENAT5742619:001?
You can request a quote for UPCMLD0ENAT5742619:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5742619:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5742619:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.