C22H15BrN4OS
TL;DR: C22H15BrN4OS (CAS 839700-50-4) is a chemical compound with molecular formula C22H15BrN4OS and molecular weight 462.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11-(4-bromophenyl)-9-thiophen-2-yl-8-oxa-12,13,15,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,13,15-hexaene
Also Known As: 7-(4-bromophenyl)-6-(thiophen-2-yl)-7,11-dihydro-6H-chromeno[4,3-d][1,2,4]triazolo[1,5-a]pyrimidine, 7-(4-bromophenyl)-6-(thiophen-2-yl)-7,12-dihydro-6H-chromeno[4,3-d][1,2,4]triazolo[1,5-a]pyrimidine
| Molecular Formula | C22H15BrN4OS |
|---|---|
| Molecular Weight | 462.01 g/mol |
| LogP | 5.662 |
| Topological Polar Surface Area | 51.97 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 462.01498 |
| Heavy Atoms | 29 |
| Complexity | 1229.9579 |
Chemical Identifiers
| CAS Number | 839700-50-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C3=C(C(N4C(=NC=N4)N3)C5=CC=C(C=C5)Br)C(O2)C6=CC=CS6 |
Product Overview
C22H15BrN4OS (CAS 839700-50-4), with molecular formula C22H15BrN4OS and molecular weight 462.01 g/mol. IUPAC: 11-(4-bromophenyl)-9-thiophen-2-yl-8-oxa-12,13,15,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,13,15-hexaene.
Chemical Property Profile of C22H15BrN4OS
Property Insights of C22H15BrN4OS
The XLogP value of 5.662 indicates that C22H15BrN4OS is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.97 Ų, C22H15BrN4OS exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C22H15BrN4OS has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C22H15BrN4OS?
The CAS number of C22H15BrN4OS is 839700-50-4.
What is the molecular formula of C22H15BrN4OS?
The molecular formula of C22H15BrN4OS is C22H15BrN4OS.
What is the molecular weight of C22H15BrN4OS?
The molecular weight of C22H15BrN4OS is 462.01 g/mol.
Where can I buy C22H15BrN4OS?
You can request a quote for C22H15BrN4OS directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C22H15BrN4OS?
Yes, KEHONG BIO provides custom synthesis services for C22H15BrN4OS and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.