UPCMLD0ENAT0516-2724:001
TL;DR: UPCMLD0ENAT0516-2724:001 (CAS 518018-33-2) is a chemical compound with molecular formula C33H28N6 and molecular weight 508.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-cyanoethyl)-1-[4-(9H-fluoren-9-yl)piperazin-1-yl]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
Also Known As: UPCMLD0ENAT0516-2724:001, 2-(2-cyanoethyl)-1-[4-(9H-fluoren-9-yl)piperazin-1-yl]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile, 1-(4-(9H-fluoren-9-yl)piperazin-1-yl)-2-(2-cyanoethyl)-3-methylbenzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile
| Molecular Formula | C33H28N6 |
|---|---|
| Molecular Weight | 508.24 g/mol |
| LogP | 6.01578 |
| Topological Polar Surface Area | 71.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 508.23755 |
| Heavy Atoms | 39 |
| Complexity | 1782.189 |
Chemical Identifiers
| CAS Number | 518018-33-2 |
|---|---|
| SMILES | CC1=C(C2=NC3=CC=CC=C3N2C(=C1CCC#N)N4CCN(CC4)C5C6=CC=CC=C6C7=CC=CC=C57)C#N |
Product Overview
UPCMLD0ENAT0516-2724:001 (CAS 518018-33-2), with molecular formula C33H28N6 and molecular weight 508.24 g/mol. IUPAC: 2-(2-cyanoethyl)-1-[4-(9H-fluoren-9-yl)piperazin-1-yl]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile.
Chemical Property Profile of UPCMLD0ENAT0516-2724:001
Property Insights of UPCMLD0ENAT0516-2724:001
The XLogP value of 6.01578 indicates that UPCMLD0ENAT0516-2724:001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.36 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT0516-2724:001. Following Lipinski's Rule of Five, UPCMLD0ENAT0516-2724:001 has 0 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 UPCMLD0ENAT0516-2724:001?
The CAS number of UPCMLD0ENAT0516-2724:001 is 518018-33-2.
What is the molecular formula of UPCMLD0ENAT0516-2724:001?
The molecular formula of UPCMLD0ENAT0516-2724:001 is C33H28N6.
What is the molecular weight of UPCMLD0ENAT0516-2724:001?
The molecular weight of UPCMLD0ENAT0516-2724:001 is 508.24 g/mol.
Where can I buy UPCMLD0ENAT0516-2724:001?
You can request a quote for UPCMLD0ENAT0516-2724:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT0516-2724:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT0516-2724:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.