UPCMLD0ENAT5762014:001
TL;DR: UPCMLD0ENAT5762014:001 (CAS 500149-23-5) is a chemical compound with molecular formula C32H38FN5 and molecular weight 511.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-3-methyl-2-octylpyrido[1,2-a]benzimidazole-4-carbonitrile
Also Known As: UPCMLD0ENAT5762014:001, F1092-0487, 1-[4-(4-fluorobenzyl)piperazin-1-yl]-3-methyl-2-octylpyrido[1,2-a]benzimidazole-4-carbonitrile, 1-(4-(4-fluorobenzyl)piperazin-1-yl)-3-methyl-2-octylbenzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile, 13-{4-[(4-fluorophenyl)methyl]piperazin-1-yl}-11-methyl-12-octyl-1,8-diazatricyclo[7.4.0.0^{2,7}]trideca-2(7),3,5,8,10,12-hexaene-10-carbonitrile
| Molecular Formula | C32H38FN5 |
|---|---|
| Molecular Weight | 511.31 g/mol |
| LogP | 7.0319 |
| Topological Polar Surface Area | 47.57 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 511.31113 |
| Heavy Atoms | 38 |
| Complexity | 1424.7773 |
Chemical Identifiers
| CAS Number | 500149-23-5 |
|---|---|
| SMILES | CCCCCCCCC1=C(N2C3=CC=CC=C3N=C2C(=C1C)C#N)N4CCN(CC4)CC5=CC=C(C=C5)F |
Product Overview
UPCMLD0ENAT5762014:001 (CAS 500149-23-5), with molecular formula C32H38FN5 and molecular weight 511.31 g/mol. IUPAC: 1-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-3-methyl-2-octylpyrido[1,2-a]benzimidazole-4-carbonitrile.
Chemical Property Profile of UPCMLD0ENAT5762014:001
Property Insights of UPCMLD0ENAT5762014:001
The XLogP value of 7.0319 indicates that UPCMLD0ENAT5762014:001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.57 Ų, UPCMLD0ENAT5762014:001 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, UPCMLD0ENAT5762014:001 has 0 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 UPCMLD0ENAT5762014:001?
The CAS number of UPCMLD0ENAT5762014:001 is 500149-23-5.
What is the molecular formula of UPCMLD0ENAT5762014:001?
The molecular formula of UPCMLD0ENAT5762014:001 is C32H38FN5.
What is the molecular weight of UPCMLD0ENAT5762014:001?
The molecular weight of UPCMLD0ENAT5762014:001 is 511.31 g/mol.
Where can I buy UPCMLD0ENAT5762014:001?
You can request a quote for UPCMLD0ENAT5762014:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5762014:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5762014:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.