UPCMLD0ENAT5742650:001
TL;DR: UPCMLD0ENAT5742650:001 (CAS 442572-82-9) is a chemical compound with molecular formula C25H27N5 and molecular weight 397.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-butyl-1-[4-(dimethylamino)anilino]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
Also Known As: UPCMLD0ENAT5742650:001, 2-butyl-1-{[4-(dimethylamino)phenyl]amino}-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile, 2-butyl-1-[4-(dimethylamino)anilino]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile, (1Z)-2-butyl-1-{[4-(dimethylamino)phenyl]imino}-3-methyl-1,5-dihydropyrido[1,2-a]benzimidazole-4-carbonitrile, 2-butyl-1-((4-(dimethylamino)phenyl)amino)-3-methylbenzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile
| Molecular Formula | C25H27N5 |
|---|---|
| Molecular Weight | 397.23 g/mol |
| LogP | 5.8198 |
| Topological Polar Surface Area | 56.36 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 397.22665 |
| Heavy Atoms | 30 |
| Complexity | 1242.9904 |
Chemical Identifiers
| CAS Number | 442572-82-9 |
|---|---|
| SMILES | CCCCC1=C(N2C3=CC=CC=C3N=C2C(=C1C)C#N)NC4=CC=C(C=C4)N(C)C |
Product Overview
UPCMLD0ENAT5742650:001 (CAS 442572-82-9), with molecular formula C25H27N5 and molecular weight 397.23 g/mol. IUPAC: 2-butyl-1-[4-(dimethylamino)anilino]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile.
Chemical Property Profile of UPCMLD0ENAT5742650:001
Property Insights of UPCMLD0ENAT5742650:001
The XLogP value of 5.8198 indicates that UPCMLD0ENAT5742650:001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.36 Ų, UPCMLD0ENAT5742650:001 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, UPCMLD0ENAT5742650:001 has 1 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 UPCMLD0ENAT5742650:001?
The CAS number of UPCMLD0ENAT5742650:001 is 442572-82-9.
What is the molecular formula of UPCMLD0ENAT5742650:001?
The molecular formula of UPCMLD0ENAT5742650:001 is C25H27N5.
What is the molecular weight of UPCMLD0ENAT5742650:001?
The molecular weight of UPCMLD0ENAT5742650:001 is 397.23 g/mol.
Where can I buy UPCMLD0ENAT5742650:001?
You can request a quote for UPCMLD0ENAT5742650:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5742650:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5742650:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.