BAS 00889884
TL;DR: BAS 00889884 (CAS 312927-79-0) is a chemical compound with molecular formula C22H16ClN3O3 and molecular weight 405.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chlorophenyl)-5-(3-nitrophenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
Also Known As: BAS 00889884, 2-(4-chlorophenyl)-5-(3-nitrophenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine, 2-(4-chlorophenyl)-5-(3-nitrophenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine, 9-(4-chlorophenyl)-6-(3-nitrophenyl)-6H,10aH-benzo[e]2-pyrazolino[1,5-c]1,3-ox azine, 2-(4-chlorophenyl)-5-(3-nitrophenyl)-5,10b-dihydro-1H-benzo[e]pyrazolo[1,5-c][1,3]oxazine
| Molecular Formula | C22H16ClN3O3 |
|---|---|
| Molecular Weight | 405.09 g/mol |
| LogP | 5.4905 |
| Topological Polar Surface Area | 67.97 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 405.088 |
| Heavy Atoms | 29 |
| Complexity | 1130.1562 |
Chemical Identifiers
| CAS Number | 312927-79-0 |
|---|---|
| SMILES | C1C2C3=CC=CC=C3OC(N2N=C1C4=CC=C(C=C4)Cl)C5=CC(=CC=C5)[N+](=O)[O-] |
Product Overview
BAS 00889884 (CAS 312927-79-0), with molecular formula C22H16ClN3O3 and molecular weight 405.09 g/mol. IUPAC: 2-(4-chlorophenyl)-5-(3-nitrophenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine.
Chemical Property Profile of BAS 00889884
Property Insights of BAS 00889884
The XLogP value of 5.4905 indicates that BAS 00889884 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.97 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00889884. Following Lipinski's Rule of Five, BAS 00889884 has 0 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 BAS 00889884?
The CAS number of BAS 00889884 is 312927-79-0.
What is the molecular formula of BAS 00889884?
The molecular formula of BAS 00889884 is C22H16ClN3O3.
What is the molecular weight of BAS 00889884?
The molecular weight of BAS 00889884 is 405.09 g/mol.
Where can I buy BAS 00889884?
You can request a quote for BAS 00889884 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00889884?
Yes, KEHONG BIO provides custom synthesis services for BAS 00889884 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.