UPCMLD0ENAT5747497:001
TL;DR: UPCMLD0ENAT5747497:001 (CAS 331868-01-0) is a chemical compound with molecular formula C25H26N4O and molecular weight 398.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzyl-1-(3-ethoxypropylamino)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
Also Known As: UPCMLD0ENAT5747497:001, F1092-0166, 2-benzyl-1-((3-ethoxypropyl)amino)-3-methylbenzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile, 2-benzyl-1-[(3-ethoxypropyl)amino]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile, 12-benzyl-13-[(3-ethoxypropyl)amino]-11-methyl-1,8-diazatricyclo[7.4.0.0^{2,7}]trideca-2(7),3,5,8,10,12-hexaene-10-carbonitrile
| Molecular Formula | C25H26N4O |
|---|---|
| Molecular Weight | 398.21 g/mol |
| LogP | 5.0969 |
| Topological Polar Surface Area | 62.35 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 398.21066 |
| Heavy Atoms | 30 |
| Complexity | 1204.9998 |
Chemical Identifiers
| CAS Number | 331868-01-0 |
|---|---|
| SMILES | CCOCCCNC1=C(C(=C(C2=NC3=CC=CC=C3N12)C#N)C)CC4=CC=CC=C4 |
Product Overview
UPCMLD0ENAT5747497:001 (CAS 331868-01-0), with molecular formula C25H26N4O and molecular weight 398.21 g/mol. IUPAC: 2-benzyl-1-(3-ethoxypropylamino)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile.
Chemical Property Profile of UPCMLD0ENAT5747497:001
Property Insights of UPCMLD0ENAT5747497:001
The XLogP value of 5.0969 indicates that UPCMLD0ENAT5747497:001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.35 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5747497:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5747497:001 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 UPCMLD0ENAT5747497:001?
The CAS number of UPCMLD0ENAT5747497:001 is 331868-01-0.
What is the molecular formula of UPCMLD0ENAT5747497:001?
The molecular formula of UPCMLD0ENAT5747497:001 is C25H26N4O.
What is the molecular weight of UPCMLD0ENAT5747497:001?
The molecular weight of UPCMLD0ENAT5747497:001 is 398.21 g/mol.
Where can I buy UPCMLD0ENAT5747497:001?
You can request a quote for UPCMLD0ENAT5747497:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5747497:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5747497:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.