RefChem:448694
TL;DR: RefChem:448694 (CAS 618879-97-3) is a chemical compound with molecular formula C25H21N5O2S2 and molecular weight 487.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(furan-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide
Also Known As: 2-{[5-(furan-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide, 2-((4-Allyl-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-(6-methylbenzo[d]thiazol-2-yl)phenyl)acetamide, 2-{[4-ALLYL-5-(2-FURYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}-N-[4-(6-METHYL-1,3-BENZOTHIAZOL-2-YL)PHENYL]ACETAMIDE, 2-((4-Allyl-5-(2-furyl)-4H-1,2,4-triazol-3-YL)sulfanyl)-N-(4-(6-methyl-1,3-benzothiazol-2-YL)phenyl)acetamide, 2-(5-(2-furyl)-4-prop-2-enyl(1,2,4-triazol-3-ylthio))-N-[4-(6-methylbenzothiaz ol-2-yl)phenyl]acetamide
| Molecular Formula | C25H21N5O2S2 |
|---|---|
| Molecular Weight | 487.11 g/mol |
| LogP | 6.04002 |
| Topological Polar Surface Area | 85.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 487.11368 |
| Heavy Atoms | 34 |
| Complexity | 1452.7852 |
Chemical Identifiers
| CAS Number | 618879-97-3 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)CSC4=NN=C(N4CC=C)C5=CC=CO5 |
Product Overview
RefChem:448694 (CAS 618879-97-3), with molecular formula C25H21N5O2S2 and molecular weight 487.11 g/mol. IUPAC: 2-[[5-(furan-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide.
Chemical Property Profile of RefChem:448694
Property Insights of RefChem:448694
The XLogP value of 6.04002 indicates that RefChem:448694 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.84 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:448694. Following Lipinski's Rule of Five, RefChem:448694 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:448694?
The CAS number of RefChem:448694 is 618879-97-3.
What is the molecular formula of RefChem:448694?
The molecular formula of RefChem:448694 is C25H21N5O2S2.
What is the molecular weight of RefChem:448694?
The molecular weight of RefChem:448694 is 487.11 g/mol.
Where can I buy RefChem:448694?
You can request a quote for RefChem:448694 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:448694?
Yes, KEHONG BIO provides custom synthesis services for RefChem:448694 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.