UPCMLD0ENAT5755275:001
TL;DR: UPCMLD0ENAT5755275:001 (CAS 518018-25-2) is a chemical compound with molecular formula C23H19Cl2N5O2S and molecular weight 499.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
Also Known As: UPCMLD0ENAT5755275:001, AF-399/40981365, 1-{4-[(3,4-dichlorophenyl)sulfonyl]piperazin-1-yl}-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile, 1-(4-((3,4-dichlorophenyl)sulfonyl)piperazin-1-yl)-3-methylbenzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile, 1-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
| Molecular Formula | C23H19Cl2N5O2S |
|---|---|
| Molecular Weight | 499.06 g/mol |
| LogP | 4.4853 |
| Topological Polar Surface Area | 81.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 499.06366 |
| Heavy Atoms | 33 |
| Complexity | 1550.9062 |
Chemical Identifiers
| CAS Number | 518018-25-2 |
|---|---|
| SMILES | CC1=C(C2=NC3=CC=CC=C3N2C(=C1)N4CCN(CC4)S(=O)(=O)C5=CC(=C(C=C5)Cl)Cl)C#N |
Product Overview
UPCMLD0ENAT5755275:001 (CAS 518018-25-2), with molecular formula C23H19Cl2N5O2S and molecular weight 499.06 g/mol. IUPAC: 1-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile.
Chemical Property Profile of UPCMLD0ENAT5755275:001
Property Insights of UPCMLD0ENAT5755275:001
The XLogP value of 4.4853 indicates that UPCMLD0ENAT5755275:001 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 UPCMLD0ENAT5755275:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5755275:001 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 UPCMLD0ENAT5755275:001?
The CAS number of UPCMLD0ENAT5755275:001 is 518018-25-2.
What is the molecular formula of UPCMLD0ENAT5755275:001?
The molecular formula of UPCMLD0ENAT5755275:001 is C23H19Cl2N5O2S.
What is the molecular weight of UPCMLD0ENAT5755275:001?
The molecular weight of UPCMLD0ENAT5755275:001 is 499.06 g/mol.
Where can I buy UPCMLD0ENAT5755275:001?
You can request a quote for UPCMLD0ENAT5755275:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5755275:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5755275:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.