UPCMLD0ENAT5761949:001
TL;DR: UPCMLD0ENAT5761949:001 (CAS 442572-98-7) is a chemical compound with molecular formula C24H31N5O and molecular weight 405.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-2-(3-methylbutyl)-1-(2-morpholin-4-ylethylamino)pyrido[1,2-a]benzimidazole-4-carbonitrile
Also Known As: UPCMLD0ENAT5761949:001, 2-isopentyl-3-methyl-1-((2-morpholinoethyl)amino)benzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile, F1126-0880, 11-methyl-12-(3-methylbutyl)-13-{[2-(morpholin-4-yl)ethyl]amino}-1,8-diazatricyclo[7.4.0.0^{2,7}]trideca-2,4,6,8,10,12-hexaene-10-carbonitrile, 3-methyl-2-(3-methylbutyl)-1-(2-morpholin-4-ylethylamino)pyrido[1,2-a]benzimidazole-4-carbonitrile
| Molecular Formula | C24H31N5O |
|---|---|
| Molecular Weight | 405.25 g/mol |
| LogP | 4.0003 |
| Topological Polar Surface Area | 65.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 405.25287 |
| Heavy Atoms | 30 |
| Complexity | 1072.8103 |
Chemical Identifiers
| CAS Number | 442572-98-7 |
|---|---|
| SMILES | CC1=C(C2=NC3=CC=CC=C3N2C(=C1CCC(C)C)NCCN4CCOCC4)C#N |
Product Overview
UPCMLD0ENAT5761949:001 (CAS 442572-98-7), with molecular formula C24H31N5O and molecular weight 405.25 g/mol. IUPAC: 3-methyl-2-(3-methylbutyl)-1-(2-morpholin-4-ylethylamino)pyrido[1,2-a]benzimidazole-4-carbonitrile.
Chemical Property Profile of UPCMLD0ENAT5761949:001
Property Insights of UPCMLD0ENAT5761949:001
The XLogP value of 4.0003 indicates that UPCMLD0ENAT5761949:001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.59 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5761949:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5761949:001 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of UPCMLD0ENAT5761949:001?
The CAS number of UPCMLD0ENAT5761949:001 is 442572-98-7.
What is the molecular formula of UPCMLD0ENAT5761949:001?
The molecular formula of UPCMLD0ENAT5761949:001 is C24H31N5O.
What is the molecular weight of UPCMLD0ENAT5761949:001?
The molecular weight of UPCMLD0ENAT5761949:001 is 405.25 g/mol.
Where can I buy UPCMLD0ENAT5761949:001?
You can request a quote for UPCMLD0ENAT5761949:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5761949:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5761949:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.