BAS 02323830
TL;DR: BAS 02323830 (CAS 335397-87-0) is a chemical compound with molecular formula C26H26N6O3S2 and molecular weight 534.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[2-[[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate
Also Known As: BAS 02323830, ethyl 4-[[2-[[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate, ethyl 4-({[(5-{[(4,6-dimethyl-2-pyrimidinyl)sulfanyl]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoate, ethyl 4-({[(5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoate, ethyl 4-(2-((5-(((4,6-dimethylpyrimidin-2-yl)thio)methyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate
| Molecular Formula | C26H26N6O3S2 |
|---|---|
| Molecular Weight | 534.15 g/mol |
| LogP | 4.87394 |
| Topological Polar Surface Area | 111.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 534.15076 |
| Heavy Atoms | 37 |
| Complexity | 1356.8397 |
Chemical Identifiers
| CAS Number | 335397-87-0 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)CSC4=NC(=CC(=N4)C)C |
Product Overview
BAS 02323830 (CAS 335397-87-0), with molecular formula C26H26N6O3S2 and molecular weight 534.15 g/mol. IUPAC: ethyl 4-[[2-[[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate.
Chemical Property Profile of BAS 02323830
Property Insights of BAS 02323830
The XLogP value of 4.87394 indicates that BAS 02323830 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.89 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 02323830. Following Lipinski's Rule of Five, BAS 02323830 has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 02323830?
The CAS number of BAS 02323830 is 335397-87-0.
What is the molecular formula of BAS 02323830?
The molecular formula of BAS 02323830 is C26H26N6O3S2.
What is the molecular weight of BAS 02323830?
The molecular weight of BAS 02323830 is 534.15 g/mol.
Where can I buy BAS 02323830?
You can request a quote for BAS 02323830 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02323830?
Yes, KEHONG BIO provides custom synthesis services for BAS 02323830 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.