BRN 0946137
TL;DR: BRN 0946137 (CAS 38911-89-6) is a chemical compound with molecular formula C21H21N5O2S and molecular weight 407.1416 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2-[[5-[2-(1H-benzimidazol-2-yl)ethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate
Also Known As: BAS 02993315, 5-26-19-00024 (Beilstein Handbook Reference), Acetic acid, ((5-(2-(1H-benzimidazol-2-yl)ethyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-, ethyl ester, BRD-K25269603-001-01-6, [[5-[2-(1H-Benzimidazol-2-yl)ethyl]-4-phenyl-4H-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester
Technical Specifications
| Molecular Formula | C21H21N5O2S |
| Molecular Weight | 407.1416 g/mol |
| XLogP | 4.1 |
| Topological Polar Surface Area (TPSA) | 111.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 407.1416 Da |
| Heavy Atoms | 29 |
| Complexity | 533.0 |
| SMILES | CCOC(=O)CSC1=NN=C(N1C2=CC=CC=C2)CCC3=NC4=CC=CC=C4N3 |
| InChIKey | IJADJCLZZNQISU-UHFFFAOYSA-N |
Chemical Property Profile of BRN 0946137
Property Insights of BRN 0946137
The XLogP value of 4.1 indicates that BRN 0946137 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.0 Ų falls within the moderate polarity range, balancing permeability and solubility for BRN 0946137. Following Lipinski's Rule of Five, BRN 0946137 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of BRN 0946137?
The CAS number of BRN 0946137 is 38911-89-6.
What is the molecular formula of BRN 0946137?
The molecular formula of BRN 0946137 is C21H21N5O2S.
What is the molecular weight of BRN 0946137?
The molecular weight of BRN 0946137 is 407.1416 g/mol.
Where can I buy BRN 0946137?
You can request a quote for BRN 0946137 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for BRN 0946137?
Yes, CoreyChem provides custom synthesis services for BRN 0946137 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.