ChemDiv1_016229
TL;DR: ChemDiv1_016229 (CAS 423138-38-9) is a chemical compound with molecular formula C22H15FN4OS and molecular weight 402.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-(4-fluorophenyl)-11-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: ChemDiv1_016229, 6-(4-FLUOROPHENYL)-7-(2-THIENYL)-7,12-DIHYDRO-6H-CHROMENO[4,3-D][1,2,4]TRIAZOLO[1,5-A]PYRIMIDINE, 6-(4-fluorophenyl)-7-(thiophen-2-yl)-7,11-dihydro-6H-chromeno[4,3-d][1,2,4]triazolo[1,5-a]pyrimidine, 6-(4-fluorophenyl)-7-(thiophen-2-yl)-7,12-dihydro-6H-chromeno[4,3-d][1,2,4]triazolo[1,5-a]pyrimidine, 9-(4-fluorophenyl)-11-(thiophen-2-yl)-8-oxa-12,13,15,17-tetraazatetracyclo[8.7.0.0^{2,7}.0^{12,16}]heptadeca-1(10),2,4,6,13,15-hexaene
| Molecular Formula | C22H15FN4OS |
|---|---|
| Molecular Weight | 402.10 g/mol |
| LogP | 5.0386 |
| Topological Polar Surface Area | 51.97 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 402.09506 |
| Heavy Atoms | 29 |
| Complexity | 1229.9579 |
Chemical Identifiers
| CAS Number | 423138-38-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C3=C(C(N4C(=NC=N4)N3)C5=CC=CS5)C(O2)C6=CC=C(C=C6)F |
Product Overview
ChemDiv1_016229 (CAS 423138-38-9), with molecular formula C22H15FN4OS and molecular weight 402.10 g/mol. IUPAC: 9-(4-fluorophenyl)-11-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 ChemDiv1_016229
Property Insights of ChemDiv1_016229
The XLogP value of 5.0386 indicates that ChemDiv1_016229 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.97 Ų, ChemDiv1_016229 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_016229 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 ChemDiv1_016229?
The CAS number of ChemDiv1_016229 is 423138-38-9.
What is the molecular formula of ChemDiv1_016229?
The molecular formula of ChemDiv1_016229 is C22H15FN4OS.
What is the molecular weight of ChemDiv1_016229?
The molecular weight of ChemDiv1_016229 is 402.10 g/mol.
Where can I buy ChemDiv1_016229?
You can request a quote for ChemDiv1_016229 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_016229?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_016229 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.