BAS 02223674
TL;DR: BAS 02223674 (CAS 442630-85-5) is a chemical compound with molecular formula C23H22N4O4S and molecular weight 450.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(3,4-dimethoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide
Also Known As: BAS 02223674, A2683/0114381, 2-{[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(furan-2-ylmethyl)acetamide, 2-[5-(3,4-dimethoxyphenyl)-4-phenyl(1,2,4-triazol-3-ylthio)]-N-(2-furylmethyl) acetamide, 2-((5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(furan-2-ylmethyl)acetamide
| Molecular Formula | C23H22N4O4S |
|---|---|
| Molecular Weight | 450.14 g/mol |
| LogP | 3.953 |
| Topological Polar Surface Area | 91.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 450.13617 |
| Heavy Atoms | 32 |
| Complexity | 1176.1968 |
Chemical Identifiers
| CAS Number | 442630-85-5 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)NCC4=CC=CO4)OC |
Product Overview
BAS 02223674 (CAS 442630-85-5), with molecular formula C23H22N4O4S and molecular weight 450.14 g/mol. IUPAC: 2-[[5-(3,4-dimethoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide.
Chemical Property Profile of BAS 02223674
Property Insights of BAS 02223674
The XLogP value of 3.953 indicates that BAS 02223674 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.41 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 02223674. Following Lipinski's Rule of Five, BAS 02223674 has 1 hydrogen bond donor(s) and 7 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 BAS 02223674?
The CAS number of BAS 02223674 is 442630-85-5.
What is the molecular formula of BAS 02223674?
The molecular formula of BAS 02223674 is C23H22N4O4S.
What is the molecular weight of BAS 02223674?
The molecular weight of BAS 02223674 is 450.14 g/mol.
Where can I buy BAS 02223674?
You can request a quote for BAS 02223674 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02223674?
Yes, KEHONG BIO provides custom synthesis services for BAS 02223674 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.