C21H20BrClN2O2
TL;DR: C21H20BrClN2O2 (CAS 877783-82-9) is a chemical compound with molecular formula C21H20BrClN2O2 and molecular weight 446.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-bromo-2-(4-chlorophenyl)-7-methoxyspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,1'-cyclopentane]
Also Known As: 2-bromo-9-(4-chlorophenyl)-4-methoxyspiro[10aH-benzo[e]2-pyrazolino[1,5-c]1,3-oxazine-6,1'-cyclopentane], 2-bromo-9-(4-chlorophenyl)-4-methoxyspiro[10aH-benzo[e]2-pyrazolino[1,5-c]1,3- oxazine-6,1'-cyclopentane], 9'-bromo-2'-(4-chlorophenyl)-7'-methoxy-1',10b'-dihydrospiro[cyclopentane-1,5'-pyrazolo[1,5-c][1,3]benzoxazine], 9-bromo-2-(4-chlorophenyl)-7-methoxy-1,10b-dihydrospiro[benzo[e]pyrazolo[1,5-c][1,3]oxazine-5,1'-cyclopentane], 9-bromo-2-(4-chlorophenyl)-7-methoxyspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,1'-cyclopentane]
| Molecular Formula | C21H20BrClN2O2 |
|---|---|
| Molecular Weight | 446.04 g/mol |
| LogP | 5.9249 |
| Topological Polar Surface Area | 34.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 446.03967 |
| Heavy Atoms | 27 |
| Complexity | 922.524 |
Chemical Identifiers
| CAS Number | 877783-82-9 |
|---|---|
| SMILES | COC1=CC(=CC2=C1OC3(CCCC3)N4C2CC(=N4)C5=CC=C(C=C5)Cl)Br |
Product Overview
C21H20BrClN2O2 (CAS 877783-82-9), with molecular formula C21H20BrClN2O2 and molecular weight 446.04 g/mol. IUPAC: 9-bromo-2-(4-chlorophenyl)-7-methoxyspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,1'-cyclopentane].
Chemical Property Profile of C21H20BrClN2O2
Property Insights of C21H20BrClN2O2
The XLogP value of 5.9249 indicates that C21H20BrClN2O2 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.06 Ų, C21H20BrClN2O2 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C21H20BrClN2O2 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 C21H20BrClN2O2?
The CAS number of C21H20BrClN2O2 is 877783-82-9.
What is the molecular formula of C21H20BrClN2O2?
The molecular formula of C21H20BrClN2O2 is C21H20BrClN2O2.
What is the molecular weight of C21H20BrClN2O2?
The molecular weight of C21H20BrClN2O2 is 446.04 g/mol.
Where can I buy C21H20BrClN2O2?
You can request a quote for C21H20BrClN2O2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C21H20BrClN2O2?
Yes, KEHONG BIO provides custom synthesis services for C21H20BrClN2O2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.