UPCMLD0ENAT5742655:001
TL;DR: UPCMLD0ENAT5742655:001 (CAS 442572-79-4) is a chemical compound with molecular formula C24H21N5 and molecular weight 379.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(benzimidazol-1-yl)-2-butyl-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
Also Known As: UPCMLD0ENAT5742655:001, 1-(1H-benzimidazol-1-yl)-2-butyl-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile, F1126-0819, 13-(1H-1,3-benzodiazol-1-yl)-12-butyl-11-methyl-1,8-diazatricyclo[7.4.0.0^{2,7}]trideca-2(7),3,5,8,10,12-hexaene-10-carbonitrile, 1-(benzimidazol-1-yl)-2-butyl-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
| Molecular Formula | C24H21N5 |
|---|---|
| Molecular Weight | 379.18 g/mol |
| LogP | 5.3491 |
| Topological Polar Surface Area | 58.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 379.1797 |
| Heavy Atoms | 29 |
| Complexity | 1414.5586 |
Chemical Identifiers
| CAS Number | 442572-79-4 |
|---|---|
| SMILES | CCCCC1=C(N2C3=CC=CC=C3N=C2C(=C1C)C#N)N4C=NC5=CC=CC=C54 |
Product Overview
UPCMLD0ENAT5742655:001 (CAS 442572-79-4), with molecular formula C24H21N5 and molecular weight 379.18 g/mol. IUPAC: 1-(benzimidazol-1-yl)-2-butyl-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile.
Chemical Property Profile of UPCMLD0ENAT5742655:001
Property Insights of UPCMLD0ENAT5742655:001
The XLogP value of 5.3491 indicates that UPCMLD0ENAT5742655:001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.91 Ų, UPCMLD0ENAT5742655:001 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, UPCMLD0ENAT5742655:001 has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of UPCMLD0ENAT5742655:001?
The CAS number of UPCMLD0ENAT5742655:001 is 442572-79-4.
What is the molecular formula of UPCMLD0ENAT5742655:001?
The molecular formula of UPCMLD0ENAT5742655:001 is C24H21N5.
What is the molecular weight of UPCMLD0ENAT5742655:001?
The molecular weight of UPCMLD0ENAT5742655:001 is 379.18 g/mol.
Where can I buy UPCMLD0ENAT5742655:001?
You can request a quote for UPCMLD0ENAT5742655:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5742655:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5742655:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.