BAS 00889953
TL;DR: BAS 00889953 (CAS 332061-34-4) is a chemical compound with molecular formula C21H21BrN2O and molecular weight 396.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-bromo-2-(4-methylphenyl)spiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,1'-cyclopentane]
Also Known As: BAS 00889953, 9'-bromo-2'-(4-methylphenyl)-1',10'b-dihydrospiro(cyclopentane-1,5'-pyrazolo[1,5-c][1,3]benzoxazine), 9-bromo-2-(4-methylphenyl)spiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,1'-cyclopentane], 2-bromo-9-(4-methylphenyl)spiro[10aH-benzo[e]2-pyrazolino[1,5-c]1,3-oxazine-6, 1'-cyclopentane], 9'-bromo-2'-(4-methylphenyl)-1',10b'-dihydrospiro[cyclopentane-1,5'-pyrazolo[1,5-c][1,3]benzoxazine]
| Molecular Formula | C21H21BrN2O |
|---|---|
| Molecular Weight | 396.08 g/mol |
| LogP | 5.57132 |
| Topological Polar Surface Area | 24.83 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 396.08374 |
| Heavy Atoms | 25 |
| Complexity | 852.6998 |
Chemical Identifiers
| CAS Number | 332061-34-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NN3C(C2)C4=C(C=CC(=C4)Br)OC35CCCC5 |
Product Overview
BAS 00889953 (CAS 332061-34-4), with molecular formula C21H21BrN2O and molecular weight 396.08 g/mol. IUPAC: 9-bromo-2-(4-methylphenyl)spiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,1'-cyclopentane].
Chemical Property Profile of BAS 00889953
Property Insights of BAS 00889953
The XLogP value of 5.57132 indicates that BAS 00889953 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 00889953 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00889953 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 00889953?
The CAS number of BAS 00889953 is 332061-34-4.
What is the molecular formula of BAS 00889953?
The molecular formula of BAS 00889953 is C21H21BrN2O.
What is the molecular weight of BAS 00889953?
The molecular weight of BAS 00889953 is 396.08 g/mol.
Where can I buy BAS 00889953?
You can request a quote for BAS 00889953 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00889953?
Yes, KEHONG BIO provides custom synthesis services for BAS 00889953 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.