BAS 00889880
TL;DR: BAS 00889880 (CAS 332060-82-9) is a chemical compound with molecular formula C21H15BrClN3O and molecular weight 439.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-bromo-2-(4-chlorophenyl)-5-pyridin-4-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
Also Known As: BAS 00889880, 9-BR-2-(4-CL-PH)-5-(4-PYRIDINYL)-1,10B-DIHYDROPYRAZOLO(1,5-C)(1,3)BENZOXAZINE, 9-bromo-2-(4-chlorophenyl)-5-(4-pyridinyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine, 9-bromo-2-(4-chlorophenyl)-5-(pyridin-4-yl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine, 12-bromo-4-(4-chlorophenyl)-7-(pyridin-4-yl)-8-oxa-5,6-diazatricyclo[7.4.0.0^{2,6}]trideca-1(13),4,9,11-tetraene
| Molecular Formula | C21H15BrClN3O |
|---|---|
| Molecular Weight | 439.01 g/mol |
| LogP | 5.7398 |
| Topological Polar Surface Area | 37.72 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 439.0087 |
| Heavy Atoms | 27 |
| Complexity | 1023.3565 |
Chemical Identifiers
| CAS Number | 332060-82-9 |
|---|---|
| SMILES | C1C2C3=C(C=CC(=C3)Br)OC(N2N=C1C4=CC=C(C=C4)Cl)C5=CC=NC=C5 |
Product Overview
BAS 00889880 (CAS 332060-82-9), with molecular formula C21H15BrClN3O and molecular weight 439.01 g/mol. IUPAC: 9-bromo-2-(4-chlorophenyl)-5-pyridin-4-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine.
Chemical Property Profile of BAS 00889880
Property Insights of BAS 00889880
The XLogP value of 5.7398 indicates that BAS 00889880 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.72 Ų, BAS 00889880 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00889880 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00889880?
The CAS number of BAS 00889880 is 332060-82-9.
What is the molecular formula of BAS 00889880?
The molecular formula of BAS 00889880 is C21H15BrClN3O.
What is the molecular weight of BAS 00889880?
The molecular weight of BAS 00889880 is 439.01 g/mol.
Where can I buy BAS 00889880?
You can request a quote for BAS 00889880 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00889880?
Yes, KEHONG BIO provides custom synthesis services for BAS 00889880 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.