UPCMLD0ENAT5763165:001
TL;DR: UPCMLD0ENAT5763165:001 (CAS 442572-38-5) is a chemical compound with molecular formula C23H20FN5O2S and molecular weight 449.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
Also Known As: UPCMLD0ENAT5763165:001, F1126-0025, 1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile, 1-(4-((4-fluorophenyl)sulfonyl)piperazin-1-yl)-3-methylbenzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile, 1-{4-[(4-FLUOROPHENYL)SULFONYL]-1-PIPERAZINYL}-3-METHYLPYRIDO[1,2-A]BENZIMIDAZOLE-4-CARBONITRILE
| Molecular Formula | C23H20FN5O2S |
|---|---|
| Molecular Weight | 449.13 g/mol |
| LogP | 3.3176 |
| Topological Polar Surface Area | 81.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 449.13217 |
| Heavy Atoms | 32 |
| Complexity | 1481.133 |
Chemical Identifiers
| CAS Number | 442572-38-5 |
|---|---|
| SMILES | CC1=C(C2=NC3=CC=CC=C3N2C(=C1)N4CCN(CC4)S(=O)(=O)C5=CC=C(C=C5)F)C#N |
Product Overview
UPCMLD0ENAT5763165:001 (CAS 442572-38-5), with molecular formula C23H20FN5O2S and molecular weight 449.13 g/mol. IUPAC: 1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile.
Chemical Property Profile of UPCMLD0ENAT5763165:001
Property Insights of UPCMLD0ENAT5763165:001
The XLogP value of 3.3176 indicates that UPCMLD0ENAT5763165:001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.71 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5763165:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5763165:001 has 0 hydrogen bond donor(s) and 5 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 UPCMLD0ENAT5763165:001?
The CAS number of UPCMLD0ENAT5763165:001 is 442572-38-5.
What is the molecular formula of UPCMLD0ENAT5763165:001?
The molecular formula of UPCMLD0ENAT5763165:001 is C23H20FN5O2S.
What is the molecular weight of UPCMLD0ENAT5763165:001?
The molecular weight of UPCMLD0ENAT5763165:001 is 449.13 g/mol.
Where can I buy UPCMLD0ENAT5763165:001?
You can request a quote for UPCMLD0ENAT5763165:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5763165:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5763165:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.