BRN 0948413
TL;DR: BRN 0948413 (CAS 38911-92-1) is a chemical compound with molecular formula C22H23N5O3S and molecular weight 437.15216 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-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate
Also Known As: 5-26-19-00024 (Beilstein Handbook Reference), Acetic acid, ((5-(2-(1H-benzimidazol-2-yl)ethyl)-4-(p-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-, ethyl ester, Ethyl 2-((5-(2-(1H-benzo[d]imidazol-2-yl)ethyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetate, ethyl 2-[[5-[2-(1H-benzimidazol-2-yl)ethyl]-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate, [[5-[2-(1H-Benzimidazol-2-yl)ethyl]-4-(p-methoxyphenyl)-4H-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester
Technical Specifications
| Molecular Formula | C22H23N5O3S |
| Molecular Weight | 437.15216 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 120.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 437.15216 Da |
| Heavy Atoms | 31 |
| Complexity | 577.0 |
| SMILES | CCOC(=O)CSC1=NN=C(N1C2=CC=C(C=C2)OC)CCC3=NC4=CC=CC=C4N3 |
| InChIKey | VSPKPLBTTMXWDN-UHFFFAOYSA-N |
Chemical Property Profile of BRN 0948413
Property Insights of BRN 0948413
The XLogP value of 4.0 indicates that BRN 0948413 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 120.0 Ų falls within the moderate polarity range, balancing permeability and solubility for BRN 0948413. Following Lipinski's Rule of Five, BRN 0948413 has 1 hydrogen bond donor(s) and 7 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 0948413?
The CAS number of BRN 0948413 is 38911-92-1.
What is the molecular formula of BRN 0948413?
The molecular formula of BRN 0948413 is C22H23N5O3S.
What is the molecular weight of BRN 0948413?
The molecular weight of BRN 0948413 is 437.15216 g/mol.
Where can I buy BRN 0948413?
You can request a quote for BRN 0948413 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for BRN 0948413?
Yes, CoreyChem provides custom synthesis services for BRN 0948413 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.