UPCMLD0ENAT5749837:001
TL;DR: UPCMLD0ENAT5749837:001 (CAS 442572-51-2) is a chemical compound with molecular formula C28H31N5 and molecular weight 437.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-[(2,4-dimethylphenyl)methyl]piperazin-1-yl]-3-propylpyrido[1,2-a]benzimidazole-4-carbonitrile
Also Known As: UPCMLD0ENAT5749837:001, F1126-0251, 1-[4-(2,4-dimethylbenzyl)piperazin-1-yl]-3-propylpyrido[1,2-a]benzimidazole-4-carbonitrile, 1-(4-(2,4-dimethylbenzyl)piperazin-1-yl)-3-propylbenzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile, 13-{4-[(2,4-dimethylphenyl)methyl]piperazin-1-yl}-11-propyl-1,8-diazatricyclo[7.4.0.0^{2,7}]trideca-2(7),3,5,8,10,12-hexaene-10-carbonitrile
| Molecular Formula | C28H31N5 |
|---|---|
| Molecular Weight | 437.26 g/mol |
| LogP | 5.25072 |
| Topological Polar Surface Area | 47.57 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 437.25793 |
| Heavy Atoms | 33 |
| Complexity | 1352.4739 |
Chemical Identifiers
| CAS Number | 442572-51-2 |
|---|---|
| SMILES | CCCC1=C(C2=NC3=CC=CC=C3N2C(=C1)N4CCN(CC4)CC5=C(C=C(C=C5)C)C)C#N |
Product Overview
UPCMLD0ENAT5749837:001 (CAS 442572-51-2), with molecular formula C28H31N5 and molecular weight 437.26 g/mol. IUPAC: 1-[4-[(2,4-dimethylphenyl)methyl]piperazin-1-yl]-3-propylpyrido[1,2-a]benzimidazole-4-carbonitrile.
Chemical Property Profile of UPCMLD0ENAT5749837:001
Property Insights of UPCMLD0ENAT5749837:001
The XLogP value of 5.25072 indicates that UPCMLD0ENAT5749837:001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.57 Ų, UPCMLD0ENAT5749837:001 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, UPCMLD0ENAT5749837:001 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 UPCMLD0ENAT5749837:001?
The CAS number of UPCMLD0ENAT5749837:001 is 442572-51-2.
What is the molecular formula of UPCMLD0ENAT5749837:001?
The molecular formula of UPCMLD0ENAT5749837:001 is C28H31N5.
What is the molecular weight of UPCMLD0ENAT5749837:001?
The molecular weight of UPCMLD0ENAT5749837:001 is 437.26 g/mol.
Where can I buy UPCMLD0ENAT5749837:001?
You can request a quote for UPCMLD0ENAT5749837:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5749837:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5749837:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.