BAS 02562542
TL;DR: BAS 02562542 (CAS 333409-18-0) is a chemical compound with molecular formula C22H19N5O4S and molecular weight 449.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[2-[[4-(furan-2-ylmethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate
Also Known As: BAS 02562542, methyl 4-[({[4-(furan-2-ylmethyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate, methyl 4-(2-((4-(furan-2-ylmethyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate, methyl 4-(2-{[4-(furan-2-ylmethyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate, methyl 4-[[2-[[4-(furan-2-ylmethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate
| Molecular Formula | C22H19N5O4S |
|---|---|
| Molecular Weight | 449.12 g/mol |
| LogP | 3.4988 |
| Topological Polar Surface Area | 112.14 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 449.11578 |
| Heavy Atoms | 32 |
| Complexity | 1191.0613 |
Chemical Identifiers
| CAS Number | 333409-18-0 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2CC3=CC=CO3)C4=CC=NC=C4 |
Product Overview
BAS 02562542 (CAS 333409-18-0), with molecular formula C22H19N5O4S and molecular weight 449.12 g/mol. IUPAC: methyl 4-[[2-[[4-(furan-2-ylmethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate.
Chemical Property Profile of BAS 02562542
Property Insights of BAS 02562542
The XLogP value of 3.4988 indicates that BAS 02562542 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.14 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 02562542. Following Lipinski's Rule of Five, BAS 02562542 has 1 hydrogen bond donor(s) and 8 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 02562542?
The CAS number of BAS 02562542 is 333409-18-0.
What is the molecular formula of BAS 02562542?
The molecular formula of BAS 02562542 is C22H19N5O4S.
What is the molecular weight of BAS 02562542?
The molecular weight of BAS 02562542 is 449.12 g/mol.
Where can I buy BAS 02562542?
You can request a quote for BAS 02562542 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02562542?
Yes, KEHONG BIO provides custom synthesis services for BAS 02562542 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.