UPCMLD0ENAT5750371:001
TL;DR: UPCMLD0ENAT5750371:001 (CAS 831211-39-3) is a chemical compound with molecular formula C33H33N5O2 and molecular weight 531.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[3-(4-benzhydrylpiperazin-1-yl)-2-hydroxypropyl]-3-methyl-1-oxopyrido[1,2-a]benzimidazole-4-carbonitrile
Also Known As: UPCMLD0ENAT5750371:001, 5-[3-(4-benzhydrylpiperazin-1-yl)-2-hydroxypropyl]-3-methyl-1-oxopyrido[1,2-a]benzimidazole-4-carbonitrile, 5-{3-[4-(diphenylmethyl)piperazin-1-yl]-2-hydroxypropyl}-3-methyl-1-oxo-1,5-dihydropyrido[1,2-a]benzimidazole-4-carbonitrile, 5-(3-(4-benzhydrylpiperazin-1-yl)-2-hydroxypropyl)-3-methyl-1-oxo-1,5-dihydrobenzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile, 5-[3-(4-benzhydrylpiperazin-1-yl)-2-hydroxy-propyl]-3-methyl-1-oxo-pyrido[1,2-a]benzimidazole-4-carbonitrile
| Molecular Formula | C33H33N5O2 |
|---|---|
| Molecular Weight | 531.26 g/mol |
| LogP | 4.2024 |
| Topological Polar Surface Area | 76.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 531.2634 |
| Heavy Atoms | 40 |
| Complexity | 1688.6348 |
Chemical Identifiers
| CAS Number | 831211-39-3 |
|---|---|
| SMILES | CC1=CC(=O)N2C3=CC=CC=C3N(C2=C1C#N)CC(CN4CCN(CC4)C(C5=CC=CC=C5)C6=CC=CC=C6)O |
Product Overview
UPCMLD0ENAT5750371:001 (CAS 831211-39-3), with molecular formula C33H33N5O2 and molecular weight 531.26 g/mol. IUPAC: 5-[3-(4-benzhydrylpiperazin-1-yl)-2-hydroxypropyl]-3-methyl-1-oxopyrido[1,2-a]benzimidazole-4-carbonitrile.
Chemical Property Profile of UPCMLD0ENAT5750371:001
Property Insights of UPCMLD0ENAT5750371:001
The XLogP value of 4.2024 indicates that UPCMLD0ENAT5750371:001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.91 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5750371:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5750371:001 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 UPCMLD0ENAT5750371:001?
The CAS number of UPCMLD0ENAT5750371:001 is 831211-39-3.
What is the molecular formula of UPCMLD0ENAT5750371:001?
The molecular formula of UPCMLD0ENAT5750371:001 is C33H33N5O2.
What is the molecular weight of UPCMLD0ENAT5750371:001?
The molecular weight of UPCMLD0ENAT5750371:001 is 531.26 g/mol.
Where can I buy UPCMLD0ENAT5750371:001?
You can request a quote for UPCMLD0ENAT5750371:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5750371:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5750371:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.