We 1008
TL;DR: We 1008 (CAS 71547-95-0) is a chemical compound with molecular formula C19H16BrClN4OS and molecular weight 461.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromo-7-(2-chlorophenyl)-13-(oxan-4-yl)-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaene
Also Known As: We 1008, 8-Bromo-6-(ortho-chlorophenyl)-1-tetrahydro-4-pyranyl-4H-5-triazolo(3,4-c)thieno(2,3-e)-1,4-diazepine, 4-Bromo-7-(2-chlorophenyl)-13-(oxan-4-yl)-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaene, 6H-Thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,1)diazepine, 2-bromo-4-(2-chlorophenyl)-6a.7-dihydro-9-(tetrahydro-2H-pyran-4-yl)-, 2-Bromo-4-(2-chlorophenyl)-9-(oxan-4-yl)-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine
| Molecular Formula | C19H16BrClN4OS |
|---|---|
| Molecular Weight | 461.99 g/mol |
| LogP | 4.9897 |
| Topological Polar Surface Area | 52.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 461.99167 |
| Heavy Atoms | 27 |
| Complexity | 1038.2617 |
Chemical Identifiers
| CAS Number | 71547-95-0 |
|---|---|
| SMILES | C1COCCC1C2=NN=C3N2C4=C(C=C(S4)Br)C(=NC3)C5=CC=CC=C5Cl |
Product Overview
We 1008 (CAS 71547-95-0), with molecular formula C19H16BrClN4OS and molecular weight 461.99 g/mol. IUPAC: 4-bromo-7-(2-chlorophenyl)-13-(oxan-4-yl)-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaene.
Chemical Property Profile of We 1008
Property Insights of We 1008
The XLogP value of 4.9897 indicates that We 1008 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.3 Ų, We 1008 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, We 1008 has 0 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 1008?
The CAS number of We 1008 is 71547-95-0.
What is the molecular formula of We 1008?
The molecular formula of We 1008 is C19H16BrClN4OS.
What is the molecular weight of We 1008?
The molecular weight of We 1008 is 461.99 g/mol.
Where can I buy We 1008?
You can request a quote for We 1008 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for We 1008?
Yes, KEHONG BIO provides custom synthesis services for We 1008 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.