UPCMLD0ENAT0519-4431:001
TL;DR: UPCMLD0ENAT0519-4431:001 (CAS 6562-64-7) is a chemical compound with molecular formula C22H16ClN5S and molecular weight 417.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-(4-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole
Also Known As: UPCMLD0ENAT0519-4431:001, 2-({[4-(4-chlorophenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]thio}methyl)-1H-benzimidazole, 2-({[4-(4-Chlorophenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1H-benzimidazole, 2-[[4-(4-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole, 2-[[4-(4-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzoimidazole
| Molecular Formula | C22H16ClN5S |
|---|---|
| Molecular Weight | 417.08 g/mol |
| LogP | 5.7563 |
| Topological Polar Surface Area | 59.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 417.08148 |
| Heavy Atoms | 29 |
| Complexity | 1228.6224 |
Chemical Identifiers
| CAS Number | 6562-64-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)Cl)SCC4=NC5=CC=CC=C5N4 |
Product Overview
UPCMLD0ENAT0519-4431:001 (CAS 6562-64-7), with molecular formula C22H16ClN5S and molecular weight 417.08 g/mol. IUPAC: 2-[[4-(4-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole.
Chemical Property Profile of UPCMLD0ENAT0519-4431:001
Property Insights of UPCMLD0ENAT0519-4431:001
The XLogP value of 5.7563 indicates that UPCMLD0ENAT0519-4431:001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.39 Ų, UPCMLD0ENAT0519-4431:001 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, UPCMLD0ENAT0519-4431:001 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 UPCMLD0ENAT0519-4431:001?
The CAS number of UPCMLD0ENAT0519-4431:001 is 6562-64-7.
What is the molecular formula of UPCMLD0ENAT0519-4431:001?
The molecular formula of UPCMLD0ENAT0519-4431:001 is C22H16ClN5S.
What is the molecular weight of UPCMLD0ENAT0519-4431:001?
The molecular weight of UPCMLD0ENAT0519-4431:001 is 417.08 g/mol.
Where can I buy UPCMLD0ENAT0519-4431:001?
You can request a quote for UPCMLD0ENAT0519-4431:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT0519-4431:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT0519-4431:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.