BAS 03791751
TL;DR: BAS 03791751 (CAS 461013-58-1) 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-3-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate
Also Known As: BAS 03791751, methyl 4-(2-((4-(furan-2-ylmethyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate, methyl 4-(2-{[4-(furan-2-ylmethyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate, methyl 4-[({[4-(furan-2-ylmethyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate, methyl 4-[[2-[[4-(furan-2-ylmethyl)-5-pyridin-3-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 | 461013-58-1 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2CC3=CC=CO3)C4=CN=CC=C4 |
Product Overview
BAS 03791751 (CAS 461013-58-1), with molecular formula C22H19N5O4S and molecular weight 449.12 g/mol. IUPAC: methyl 4-[[2-[[4-(furan-2-ylmethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate.
Chemical Property Profile of BAS 03791751
Property Insights of BAS 03791751
The XLogP value of 3.4988 indicates that BAS 03791751 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 03791751. Following Lipinski's Rule of Five, BAS 03791751 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 03791751?
The CAS number of BAS 03791751 is 461013-58-1.
What is the molecular formula of BAS 03791751?
The molecular formula of BAS 03791751 is C22H19N5O4S.
What is the molecular weight of BAS 03791751?
The molecular weight of BAS 03791751 is 449.12 g/mol.
Where can I buy BAS 03791751?
You can request a quote for BAS 03791751 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 03791751?
Yes, KEHONG BIO provides custom synthesis services for BAS 03791751 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.