AS-871/43198531
TL;DR: AS-871/43198531 (CAS 786672-92-2) is a chemical compound with molecular formula C20H14ClN3O4 and molecular weight 395.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-chloro-2-(furan-2-yl)-5-(4-nitrophenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
Also Known As: AS-871/43198531, 9-chloro-2-(furan-2-yl)-5-(4-nitrophenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine, 9-chloro-2-(2-furyl)-5-(4-nitrophenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine, 9-Chloro-2-(furan-2-yl)-5-(4-nitrophenyl)-5,10b-dihydro-1H-benzo[e]pyrazolo[1,5-c][1,3]oxazine, 2-chloro-9-(2-furyl)-6-(4-nitrophenyl)-6H,10aH-benzo[e]2-pyrazolino[1,5-c]1,3- oxazine
| Molecular Formula | C20H14ClN3O4 |
|---|---|
| Molecular Weight | 395.07 g/mol |
| LogP | 5.0835 |
| Topological Polar Surface Area | 81.11 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 395.0673 |
| Heavy Atoms | 28 |
| Complexity | 1079.3401 |
Chemical Identifiers
| CAS Number | 786672-92-2 |
|---|---|
| SMILES | C1C2C3=C(C=CC(=C3)Cl)OC(N2N=C1C4=CC=CO4)C5=CC=C(C=C5)[N+](=O)[O-] |
Product Overview
AS-871/43198531 (CAS 786672-92-2), with molecular formula C20H14ClN3O4 and molecular weight 395.07 g/mol. IUPAC: 9-chloro-2-(furan-2-yl)-5-(4-nitrophenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine.
Chemical Property Profile of AS-871/43198531
Property Insights of AS-871/43198531
The XLogP value of 5.0835 indicates that AS-871/43198531 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.11 Ų falls within the moderate polarity range, balancing permeability and solubility for AS-871/43198531. Following Lipinski's Rule of Five, AS-871/43198531 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AS-871/43198531?
The CAS number of AS-871/43198531 is 786672-92-2.
What is the molecular formula of AS-871/43198531?
The molecular formula of AS-871/43198531 is C20H14ClN3O4.
What is the molecular weight of AS-871/43198531?
The molecular weight of AS-871/43198531 is 395.07 g/mol.
Where can I buy AS-871/43198531?
You can request a quote for AS-871/43198531 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AS-871/43198531?
Yes, KEHONG BIO provides custom synthesis services for AS-871/43198531 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.