BAS 02070447
TL;DR: BAS 02070447 (CAS 443741-80-8) is a chemical compound with molecular formula C25H21N5O5S and molecular weight 503.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[2-[[4-(4-methylphenyl)-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate
Also Known As: BAS 02070447, Methyl 4-(2-((5-(4-nitrophenyl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate, Methyl4-(2-((5-(4-nitrophenyl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate, 4-{2-[5-(4-Nitro-phenyl)-4-p-tolyl-4H-[1,2,4]triazol-3-ylsulfanyl]-acetylamino}-benzoic acid methyl ester, methyl 4-[[2-[[4-(4-methylphenyl)-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate
| Molecular Formula | C25H21N5O5S |
|---|---|
| Molecular Weight | 503.13 g/mol |
| LogP | 4.66832 |
| Topological Polar Surface Area | 129.25 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 503.12634 |
| Heavy Atoms | 36 |
| Complexity | 1400.543 |
Chemical Identifiers
| CAS Number | 443741-80-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC=C(C=C3)C(=O)OC)C4=CC=C(C=C4)[N+](=O)[O-] |
Product Overview
BAS 02070447 (CAS 443741-80-8), with molecular formula C25H21N5O5S and molecular weight 503.13 g/mol. IUPAC: methyl 4-[[2-[[4-(4-methylphenyl)-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate.
Chemical Property Profile of BAS 02070447
Property Insights of BAS 02070447
The XLogP value of 4.66832 indicates that BAS 02070447 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 129.25 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 02070447. Following Lipinski's Rule of Five, BAS 02070447 has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 02070447?
The CAS number of BAS 02070447 is 443741-80-8.
What is the molecular formula of BAS 02070447?
The molecular formula of BAS 02070447 is C25H21N5O5S.
What is the molecular weight of BAS 02070447?
The molecular weight of BAS 02070447 is 503.13 g/mol.
Where can I buy BAS 02070447?
You can request a quote for BAS 02070447 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02070447?
Yes, KEHONG BIO provides custom synthesis services for BAS 02070447 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.