BIM-0022569.P001
TL;DR: BIM-0022569.P001 (CAS 331262-11-4) is a chemical compound with molecular formula C21H15N5O4S and molecular weight 433.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylsulfanyl-6-[5-(4-nitrophenyl)furan-2-yl]-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Also Known As: BIM-0022569.P001, 3-methylsulfanyl-6-[5-(4-nitrophenyl)furan-2-yl]-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine, 3-(METHYLSULFANYL)-6-[5-(4-NITROPHENYL)-2-FURYL]-6,7-DIHYDRO[1,2,4]TRIAZINO[5,6-D][3,1]BENZOXAZEPINE, 3-(methylthio)-6-[5-(4-nitrophenyl)-2-furyl]-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine, 6-(5-{4-nitrophenyl}-2-furyl)-3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
| Molecular Formula | C21H15N5O4S |
|---|---|
| Molecular Weight | 433.08 g/mol |
| LogP | 4.9318 |
| Topological Polar Surface Area | 116.21 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 433.08447 |
| Heavy Atoms | 31 |
| Complexity | 1275.0176 |
Chemical Identifiers
| CAS Number | 331262-11-4 |
|---|---|
| SMILES | CSC1=NC2=C(C3=CC=CC=C3NC(O2)C4=CC=C(O4)C5=CC=C(C=C5)[N+](=O)[O-])N=N1 |
Product Overview
BIM-0022569.P001 (CAS 331262-11-4), with molecular formula C21H15N5O4S and molecular weight 433.08 g/mol. IUPAC: 3-methylsulfanyl-6-[5-(4-nitrophenyl)furan-2-yl]-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine.
Chemical Property Profile of BIM-0022569.P001
Property Insights of BIM-0022569.P001
The XLogP value of 4.9318 indicates that BIM-0022569.P001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.21 Ų falls within the moderate polarity range, balancing permeability and solubility for BIM-0022569.P001. Following Lipinski's Rule of Five, BIM-0022569.P001 has 1 hydrogen bond donor(s) and 9 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 BIM-0022569.P001?
The CAS number of BIM-0022569.P001 is 331262-11-4.
What is the molecular formula of BIM-0022569.P001?
The molecular formula of BIM-0022569.P001 is C21H15N5O4S.
What is the molecular weight of BIM-0022569.P001?
The molecular weight of BIM-0022569.P001 is 433.08 g/mol.
Where can I buy BIM-0022569.P001?
You can request a quote for BIM-0022569.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0022569.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0022569.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.