BAS 00890050
TL;DR: BAS 00890050 (CAS 303060-87-9) is a chemical compound with molecular formula C22H23BrN2O2 and molecular weight 426.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-bromo-2-(4-methoxyphenyl)spiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,1'-cyclohexane]
Also Known As: BAS 00890050, 9-Bromo-2-(4-methoxyphenyl)-1,10b-dihydrospiro[benzo[e]pyrazolo[1,5-c][1,3]oxazine-5,1'-cyclohexane], 9-bromo-2-(4-methoxyphenyl)spiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,1'-cyclohexane], 12'-bromo-4'-(4-methoxyphenyl)-8'-oxa-5',6'-diazaspiro[cyclohexane-1,7'-tricyclo[7.4.0.0(2),]tridecane]-1'(13'),4',9',11'-tetraene, 12'-bromo-4'-(4-methoxyphenyl)-8'-oxa-5',6'-diazaspiro[cyclohexane-1,7'-tricyclo[7.4.0.0,tridecane]-1'(13'),4',9',11'-tetraene
| Molecular Formula | C22H23BrN2O2 |
|---|---|
| Molecular Weight | 426.09 g/mol |
| LogP | 5.6616 |
| Topological Polar Surface Area | 34.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 426.0943 |
| Heavy Atoms | 27 |
| Complexity | 887.68585 |
Chemical Identifiers
| CAS Number | 303060-87-9 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=NN3C(C2)C4=C(C=CC(=C4)Br)OC35CCCCC5 |
Product Overview
BAS 00890050 (CAS 303060-87-9), with molecular formula C22H23BrN2O2 and molecular weight 426.09 g/mol. IUPAC: 9-bromo-2-(4-methoxyphenyl)spiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,1'-cyclohexane].
Chemical Property Profile of BAS 00890050
Property Insights of BAS 00890050
The XLogP value of 5.6616 indicates that BAS 00890050 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.06 Ų, BAS 00890050 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00890050 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 00890050?
The CAS number of BAS 00890050 is 303060-87-9.
What is the molecular formula of BAS 00890050?
The molecular formula of BAS 00890050 is C22H23BrN2O2.
What is the molecular weight of BAS 00890050?
The molecular weight of BAS 00890050 is 426.09 g/mol.
Where can I buy BAS 00890050?
You can request a quote for BAS 00890050 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00890050?
Yes, KEHONG BIO provides custom synthesis services for BAS 00890050 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.