BAS 00890156
TL;DR: BAS 00890156 (CAS 332062-89-2) is a chemical compound with molecular formula C20H14ClN3O3S and molecular weight 411.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-chloro-5-(4-nitrophenyl)-2-thiophen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
Also Known As: BAS 00890156, 9-CHLORO-5-(4-NITROPHENYL)-2-(2-THIENYL)-1,10B-DIHYDROPYRAZOLO[1,5-C][1,3]BENZOXAZINE, 9-chloro-5-(4-nitrophenyl)-2-(thiophen-2-yl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine, 9-chloro-5-(4-nitrophenyl)-2-(thiophen-2-yl)-5,10b-dihydro-1H-benzo[e]pyrazolo[1,5-c][1,3]oxazine, 9-chloro-5-(4-nitrophenyl)-2-thiophen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
| Molecular Formula | C20H14ClN3O3S |
|---|---|
| Molecular Weight | 411.04 g/mol |
| LogP | 5.552 |
| Topological Polar Surface Area | 67.97 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 411.04443 |
| Heavy Atoms | 28 |
| Complexity | 1082.5852 |
Chemical Identifiers
| CAS Number | 332062-89-2 |
|---|---|
| SMILES | C1C2C3=C(C=CC(=C3)Cl)OC(N2N=C1C4=CC=CS4)C5=CC=C(C=C5)[N+](=O)[O-] |
Product Overview
BAS 00890156 (CAS 332062-89-2), with molecular formula C20H14ClN3O3S and molecular weight 411.04 g/mol. IUPAC: 9-chloro-5-(4-nitrophenyl)-2-thiophen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine.
Chemical Property Profile of BAS 00890156
Property Insights of BAS 00890156
The XLogP value of 5.552 indicates that BAS 00890156 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 00890156. Following Lipinski's Rule of Five, BAS 00890156 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 BAS 00890156?
The CAS number of BAS 00890156 is 332062-89-2.
What is the molecular formula of BAS 00890156?
The molecular formula of BAS 00890156 is C20H14ClN3O3S.
What is the molecular weight of BAS 00890156?
The molecular weight of BAS 00890156 is 411.04 g/mol.
Where can I buy BAS 00890156?
You can request a quote for BAS 00890156 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00890156?
Yes, KEHONG BIO provides custom synthesis services for BAS 00890156 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.