ChemDiv1_004244
TL;DR: ChemDiv1_004244 (CAS 312940-92-4) is a chemical compound with molecular formula C15H10BrNO2S and molecular weight 346.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-(4-bromophenyl)-11-oxa-7-thia-9-azatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one
Also Known As: ChemDiv1_004244, 2-(4-bromophenyl)-6,7-dihydro-4H,5H-cyclopenta[4,5]thieno[2,3-d][1,3]oxazin-4-one, AE-848/37018056, 3-(4-bromophenyl)-7,8-dihydro-6H-cyclopenta[2,3]thieno[2,4-b][1,3]oxazin-1-one, 10-(4-bromophenyl)-11-oxa-7-thia-9-azatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one
| Molecular Formula | C15H10BrNO2S |
|---|---|
| Molecular Weight | 346.96 g/mol |
| LogP | 4.1677 |
| Topological Polar Surface Area | 43.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 346.96155 |
| Heavy Atoms | 20 |
| Complexity | 863.9512 |
Chemical Identifiers
| CAS Number | 312940-92-4 |
|---|---|
| SMILES | C1CC2=C(C1)SC3=C2C(=O)OC(=N3)C4=CC=C(C=C4)Br |
Product Overview
ChemDiv1_004244 (CAS 312940-92-4), with molecular formula C15H10BrNO2S and molecular weight 346.96 g/mol. IUPAC: 10-(4-bromophenyl)-11-oxa-7-thia-9-azatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one.
Chemical Property Profile of ChemDiv1_004244
Property Insights of ChemDiv1_004244
The XLogP value of 4.1677 indicates that ChemDiv1_004244 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.1 Ų, ChemDiv1_004244 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_004244 has 0 hydrogen bond donor(s) and 4 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 ChemDiv1_004244?
The CAS number of ChemDiv1_004244 is 312940-92-4.
What is the molecular formula of ChemDiv1_004244?
The molecular formula of ChemDiv1_004244 is C15H10BrNO2S.
What is the molecular weight of ChemDiv1_004244?
The molecular weight of ChemDiv1_004244 is 346.96 g/mol.
Where can I buy ChemDiv1_004244?
You can request a quote for ChemDiv1_004244 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_004244?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_004244 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.