BRN 0947169
TL;DR: BRN 0947169 (CAS 38911-93-2) is a chemical compound with molecular formula C21H27N5O2S and molecular weight 413.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[5-[2-(1H-benzimidazol-2-yl)ethyl]-4-cyclohexyl-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-cyclohexyl-4H-1,2,4-triazol-3-yl)thio)-, ethyl ester, ethyl 2-[[5-[2-(1H-benzimidazol-2-yl)ethyl]-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]acetate, [[5-[2- ethyl]-4-cyclohexyl-4H-1,2,4-triazol-3-yl]thio]aceticacidethylester, [[5-[2-(1H-Benzimidazol-2-yl)ethyl]-4-cyclohexyl-4H-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester
| Molecular Formula | C21H27N5O2S |
|---|---|
| Molecular Weight | 413.19 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 111.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 413.18854 |
| Heavy Atoms | 29 |
| Complexity | 533.0 |
Chemical Identifiers
| CAS Number | 38911-93-2 |
|---|---|
| SMILES | CCOC(=O)CSC1=NN=C(N1C2CCCCC2)CCC3=NC4=CC=CC=C4N3 |
| InChIKey | IKNYOWQZWWLSMZ-UHFFFAOYSA-N |
Product Overview
BRN 0947169 (CAS 38911-93-2), with molecular formula C21H27N5O2S and molecular weight 413.19 g/mol. IUPAC: ethyl 2-[[5-[2-(1H-benzimidazol-2-yl)ethyl]-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]acetate.
Chemical Property Profile of BRN 0947169
Property Insights of BRN 0947169
The XLogP value of 4.1 indicates that BRN 0947169 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 0947169. Following Lipinski's Rule of Five, BRN 0947169 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
Frequently Asked Questions
What is the CAS number of BRN 0947169?
The CAS number of BRN 0947169 is 38911-93-2.
What is the molecular formula of BRN 0947169?
The molecular formula of BRN 0947169 is C21H27N5O2S.
What is the molecular weight of BRN 0947169?
The molecular weight of BRN 0947169 is 413.19 g/mol.
Where can I buy BRN 0947169?
You can request a quote for BRN 0947169 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BRN 0947169?
Yes, KEHONG BIO provides custom synthesis services for BRN 0947169 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.