UPCMLD0ENAT5755279:001
TL;DR: UPCMLD0ENAT5755279:001 (CAS 442572-37-4) is a chemical compound with molecular formula C30H26ClN5 and molecular weight 491.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
Also Known As: UPCMLD0ENAT5755279:001, 1-{4-[(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile, 1-(4-((4-chlorophenyl)(phenyl)methyl)piperazin-1-yl)-3-methylbenzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile, 1-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile, 1-{4-[(4-CHLOROPHENYL)(PHENYL)METHYL]-1-PIPERAZINYL}-3-METHYLPYRIDO[1,2-A]BENZIMIDAZOLE-4-CARBONITRILE
| Molecular Formula | C30H26ClN5 |
|---|---|
| Molecular Weight | 491.19 g/mol |
| LogP | 6.2326 |
| Topological Polar Surface Area | 47.57 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 491.18768 |
| Heavy Atoms | 36 |
| Complexity | 1575.8599 |
Chemical Identifiers
| CAS Number | 442572-37-4 |
|---|---|
| SMILES | CC1=C(C2=NC3=CC=CC=C3N2C(=C1)N4CCN(CC4)C(C5=CC=CC=C5)C6=CC=C(C=C6)Cl)C#N |
Product Overview
UPCMLD0ENAT5755279:001 (CAS 442572-37-4), with molecular formula C30H26ClN5 and molecular weight 491.19 g/mol. IUPAC: 1-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile.
Chemical Property Profile of UPCMLD0ENAT5755279:001
Property Insights of UPCMLD0ENAT5755279:001
The XLogP value of 6.2326 indicates that UPCMLD0ENAT5755279:001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.57 Ų, UPCMLD0ENAT5755279:001 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, UPCMLD0ENAT5755279:001 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 UPCMLD0ENAT5755279:001?
The CAS number of UPCMLD0ENAT5755279:001 is 442572-37-4.
What is the molecular formula of UPCMLD0ENAT5755279:001?
The molecular formula of UPCMLD0ENAT5755279:001 is C30H26ClN5.
What is the molecular weight of UPCMLD0ENAT5755279:001?
The molecular weight of UPCMLD0ENAT5755279:001 is 491.19 g/mol.
Where can I buy UPCMLD0ENAT5755279:001?
You can request a quote for UPCMLD0ENAT5755279:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5755279:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5755279:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.