UPCMLD0ENAT5747996:001
TL;DR: UPCMLD0ENAT5747996:001 (CAS 442572-69-2) is a chemical compound with molecular formula C18H18F3N5 and molecular weight 361.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-(dimethylamino)propylamino]-3-(trifluoromethyl)pyrido[1,2-a]benzimidazole-4-carbonitrile
Also Known As: UPCMLD0ENAT5747996:001, A3390/0143843, 1-[3-(dimethylamino)propylamino]-3-(trifluoromethyl)pyrido[1,2-a]benzimidazole-4-carbonitrile, 1-(3-dimethylaminopropylamino)-3-(trifluoromethyl)pyrido[1,2-a]benzimidazole-4-carbonitrile, 1-((3-(dimethylamino)propyl)amino)-3-(trifluoromethyl)benzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile
| Molecular Formula | C18H18F3N5 |
|---|---|
| Molecular Weight | 361.15 g/mol |
| LogP | 3.74158 |
| Topological Polar Surface Area | 56.36 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 361.15143 |
| Heavy Atoms | 26 |
| Complexity | 982.29504 |
Chemical Identifiers
| CAS Number | 442572-69-2 |
|---|---|
| SMILES | CN(C)CCCNC1=CC(=C(C2=NC3=CC=CC=C3N12)C#N)C(F)(F)F |
Product Overview
UPCMLD0ENAT5747996:001 (CAS 442572-69-2), with molecular formula C18H18F3N5 and molecular weight 361.15 g/mol. IUPAC: 1-[3-(dimethylamino)propylamino]-3-(trifluoromethyl)pyrido[1,2-a]benzimidazole-4-carbonitrile.
Chemical Property Profile of UPCMLD0ENAT5747996:001
Property Insights of UPCMLD0ENAT5747996:001
The XLogP value of 3.74158 indicates that UPCMLD0ENAT5747996:001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.36 Ų, UPCMLD0ENAT5747996:001 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, UPCMLD0ENAT5747996:001 has 1 hydrogen bond donor(s) and 4 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 UPCMLD0ENAT5747996:001?
The CAS number of UPCMLD0ENAT5747996:001 is 442572-69-2.
What is the molecular formula of UPCMLD0ENAT5747996:001?
The molecular formula of UPCMLD0ENAT5747996:001 is C18H18F3N5.
What is the molecular weight of UPCMLD0ENAT5747996:001?
The molecular weight of UPCMLD0ENAT5747996:001 is 361.15 g/mol.
Where can I buy UPCMLD0ENAT5747996:001?
You can request a quote for UPCMLD0ENAT5747996:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5747996:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5747996:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.