WE 1061
TL;DR: WE 1061 (CAS 88883-43-6) is a chemical compound with molecular formula C15H10BrClN4OS and molecular weight 407.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromo-7-(2-chlorophenyl)-13-methyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-ol
Also Known As: 6-hydroxybrotizolam, WE 1061, Epitope ID:2279320, 2-Bromo-4-(2-chlorophenyl)-9-methyl-6H-thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepin-6-ol, 6H-Thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepin-6-ol, 2-bromo-4-(2-chlorophenyl)-9-methyl-
| Molecular Formula | C15H10BrClN4OS |
|---|---|
| Molecular Weight | 407.94 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 91.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 407.94473 |
| Heavy Atoms | 23 |
| Complexity | 498.0 |
Chemical Identifiers
| CAS Number | 88883-43-6 |
|---|---|
| SMILES | CC1=NN=C2N1C3=C(C=C(S3)Br)C(=NC2O)C4=CC=CC=C4Cl |
| InChIKey | FNHJIEIZAKAUAN-UHFFFAOYSA-N |
Product Overview
WE 1061 (CAS 88883-43-6), with molecular formula C15H10BrClN4OS and molecular weight 407.94 g/mol. IUPAC: 4-bromo-7-(2-chlorophenyl)-13-methyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-ol.
Chemical Property Profile of WE 1061
Property Insights of WE 1061
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for WE 1061. The TPSA of 91.5 Ų falls within the moderate polarity range, balancing permeability and solubility for WE 1061. Following Lipinski's Rule of Five, WE 1061 has 1 hydrogen bond donor(s) and 5 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 WE 1061?
The CAS number of WE 1061 is 88883-43-6.
What is the molecular formula of WE 1061?
The molecular formula of WE 1061 is C15H10BrClN4OS.
What is the molecular weight of WE 1061?
The molecular weight of WE 1061 is 407.94 g/mol.
Where can I buy WE 1061?
You can request a quote for WE 1061 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for WE 1061?
Yes, KEHONG BIO provides custom synthesis services for WE 1061 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.