BAS 00889798
TL;DR: BAS 00889798 (CAS 301331-11-3) is a chemical compound with molecular formula C21H21ClN2O and molecular weight 352.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chlorophenyl)spiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,1'-cyclohexane]
Also Known As: BAS 00889798, AE-848/09807042, 2'-(4-chlorophenyl)-1',10b'-dihydrospiro[cyclohexane-1,5'-pyrazolo[1,5-c][1,3]benzoxazine], 2-(4-chlorophenyl)spiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,1'-cyclohexane], 9-(4-chlorophenyl)spiro[10aH-benzo[e]2-pyrazolino[1,5-c]1,3-oxazine-6,1'-cyclo hexane]
| Molecular Formula | C21H21ClN2O |
|---|---|
| Molecular Weight | 352.13 g/mol |
| LogP | 5.5439 |
| Topological Polar Surface Area | 24.83 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 352.13425 |
| Heavy Atoms | 25 |
| Complexity | 824.0446 |
Chemical Identifiers
| CAS Number | 301331-11-3 |
|---|---|
| SMILES | C1CCC2(CC1)N3C(CC(=N3)C4=CC=C(C=C4)Cl)C5=CC=CC=C5O2 |
Product Overview
BAS 00889798 (CAS 301331-11-3), with molecular formula C21H21ClN2O and molecular weight 352.13 g/mol. IUPAC: 2-(4-chlorophenyl)spiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,1'-cyclohexane].
Chemical Property Profile of BAS 00889798
Property Insights of BAS 00889798
The XLogP value of 5.5439 indicates that BAS 00889798 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 24.83 Ų, BAS 00889798 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00889798 has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00889798?
The CAS number of BAS 00889798 is 301331-11-3.
What is the molecular formula of BAS 00889798?
The molecular formula of BAS 00889798 is C21H21ClN2O.
What is the molecular weight of BAS 00889798?
The molecular weight of BAS 00889798 is 352.13 g/mol.
Where can I buy BAS 00889798?
You can request a quote for BAS 00889798 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00889798?
Yes, KEHONG BIO provides custom synthesis services for BAS 00889798 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.