UPCMLD0ENAT5747994:001
TL;DR: UPCMLD0ENAT5747994:001 (CAS 442572-68-1) is a chemical compound with molecular formula C17H16F3N5 and molecular weight 347.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-(dimethylamino)ethylamino]-3-(trifluoromethyl)pyrido[1,2-a]benzimidazole-4-carbonitrile
Also Known As: UPCMLD0ENAT5747994:001, A3433/0145685, 1-(2-dimethylaminoethylamino)-3-(trifluoromethyl)pyrido[1,2-a]benzimidazole-4-carbonitrile, 1-((2-(dimethylamino)ethyl)amino)-3-(trifluoromethyl)benzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile, 1-{[2-(DIMETHYLAMINO)ETHYL]AMINO}-3-(TRIFLUOROMETHYL)PYRIDO[1,2-A][1,3]BENZIMIDAZOL-4-YL CYANIDE
| Molecular Formula | C17H16F3N5 |
|---|---|
| Molecular Weight | 347.14 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 56.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 347.13577 |
| Heavy Atoms | 25 |
| Complexity | 514.0 |
Chemical Identifiers
| CAS Number | 442572-68-1 |
|---|---|
| SMILES | CN(C)CCNC1=CC(=C(C2=NC3=CC=CC=C3N12)C#N)C(F)(F)F |
| InChIKey | YUEDSSHBKXZIKM-UHFFFAOYSA-N |
Product Overview
UPCMLD0ENAT5747994:001 (CAS 442572-68-1), with molecular formula C17H16F3N5 and molecular weight 347.14 g/mol. IUPAC: 1-[2-(dimethylamino)ethylamino]-3-(trifluoromethyl)pyrido[1,2-a]benzimidazole-4-carbonitrile.
Chemical Property Profile of UPCMLD0ENAT5747994:001
Property Insights of UPCMLD0ENAT5747994:001
The XLogP value of 4.1 indicates that UPCMLD0ENAT5747994:001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.4 Ų, UPCMLD0ENAT5747994:001 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, UPCMLD0ENAT5747994:001 has 1 hydrogen bond donor(s) and 7 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 UPCMLD0ENAT5747994:001?
The CAS number of UPCMLD0ENAT5747994:001 is 442572-68-1.
What is the molecular formula of UPCMLD0ENAT5747994:001?
The molecular formula of UPCMLD0ENAT5747994:001 is C17H16F3N5.
What is the molecular weight of UPCMLD0ENAT5747994:001?
The molecular weight of UPCMLD0ENAT5747994:001 is 347.14 g/mol.
Where can I buy UPCMLD0ENAT5747994:001?
You can request a quote for UPCMLD0ENAT5747994:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5747994:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5747994:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.