BRD-K35558145-001-06-4
TL;DR: BRD-K35558145-001-06-4 (CAS 848922-82-7) is a chemical compound with molecular formula C22H18N4OS and molecular weight 386.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[4-(furan-2-ylmethyl)-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile
Also Known As: BRD-K35558145-001-06-4, 4-({[4-(furan-2-ylmethyl)-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile, 4-(((4-(furan-2-ylmethyl)-5-(m-tolyl)-4H-1,2,4-triazol-3-yl)thio)methyl)benzonitrile, 4-(4-Furan-2-ylmethyl-5-m-tolyl-4H-[1,2,4]triazol-3-ylsulfanylmethyl)-benzonitrile, 4-[[4-(furan-2-ylmethyl)-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile
| Molecular Formula | C22H18N4OS |
|---|---|
| Molecular Weight | 386.12 g/mol |
| LogP | 5.0588 |
| Topological Polar Surface Area | 67.64 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 386.12012 |
| Heavy Atoms | 28 |
| Complexity | 1108.4067 |
Chemical Identifiers
| CAS Number | 848922-82-7 |
|---|---|
| SMILES | CC1=CC(=CC=C1)C2=NN=C(N2CC3=CC=CO3)SCC4=CC=C(C=C4)C#N |
Product Overview
BRD-K35558145-001-06-4 (CAS 848922-82-7), with molecular formula C22H18N4OS and molecular weight 386.12 g/mol. IUPAC: 4-[[4-(furan-2-ylmethyl)-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile.
Chemical Property Profile of BRD-K35558145-001-06-4
Property Insights of BRD-K35558145-001-06-4
The XLogP value of 5.0588 indicates that BRD-K35558145-001-06-4 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.64 Ų falls within the moderate polarity range, balancing permeability and solubility for BRD-K35558145-001-06-4. Following Lipinski's Rule of Five, BRD-K35558145-001-06-4 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BRD-K35558145-001-06-4?
The CAS number of BRD-K35558145-001-06-4 is 848922-82-7.
What is the molecular formula of BRD-K35558145-001-06-4?
The molecular formula of BRD-K35558145-001-06-4 is C22H18N4OS.
What is the molecular weight of BRD-K35558145-001-06-4?
The molecular weight of BRD-K35558145-001-06-4 is 386.12 g/mol.
Where can I buy BRD-K35558145-001-06-4?
You can request a quote for BRD-K35558145-001-06-4 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BRD-K35558145-001-06-4?
Yes, KEHONG BIO provides custom synthesis services for BRD-K35558145-001-06-4 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.