BAS 07529236
TL;DR: BAS 07529236 (CAS 669748-96-3) is a chemical compound with molecular formula C22H21N5O3 and molecular weight 403.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6'-amino-6-methoxy-3',9,11,11-tetramethyl-2-oxospiro[1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraene-3,4'-2H-pyrano[2,3-c]pyrazole]-5'-carbonitrile
Also Known As: BAS 07529236, AO-022/42490138, 6-amino-8'-methoxy-3,4',4',6'-tetramethyl-1,4-dihydro-2'(1'H)-oxospiro(pyrano[2,3-c]pyrazole-4,1'[4'H]-pyrrolo[3,2,1-ij]quinoline)-5-carbonitrile, 6-amino-8'-methoxy-3,4',4',6'-tetramethyl-2'-oxo-1H,4'H-spiro[pyrano[2,3-c]pyrazole-4,1'-pyrrolo[3,2,1-ij]quinoline]-5-carbonitrile, 6'-Amino-6-methoxy-3',9,11,11-tetramethyl-2-oxospiro[1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraene-3,4'-2H-pyrano[2,3-c]pyrazole]-5'-carbonitrile
| Molecular Formula | C22H21N5O3 |
|---|---|
| Molecular Weight | 403.16 g/mol |
| LogP | 2.6412 |
| Topological Polar Surface Area | 117.26 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 403.16443 |
| Heavy Atoms | 30 |
| Complexity | 1260.2911 |
Chemical Identifiers
| CAS Number | 669748-96-3 |
|---|---|
| SMILES | CC1=CC(N2C3=C1C=C(C=C3C4(C2=O)C(=C(OC5=NNC(=C45)C)N)C#N)OC)(C)C |
Product Overview
BAS 07529236 (CAS 669748-96-3), with molecular formula C22H21N5O3 and molecular weight 403.16 g/mol. IUPAC: 6'-amino-6-methoxy-3',9,11,11-tetramethyl-2-oxospiro[1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraene-3,4'-2H-pyrano[2,3-c]pyrazole]-5'-carbonitrile.
Chemical Property Profile of BAS 07529236
Property Insights of BAS 07529236
The XLogP value of 2.6412 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 07529236. The TPSA of 117.26 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 07529236. Following Lipinski's Rule of Five, BAS 07529236 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 07529236?
The CAS number of BAS 07529236 is 669748-96-3.
What is the molecular formula of BAS 07529236?
The molecular formula of BAS 07529236 is C22H21N5O3.
What is the molecular weight of BAS 07529236?
The molecular weight of BAS 07529236 is 403.16 g/mol.
Where can I buy BAS 07529236?
You can request a quote for BAS 07529236 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 07529236?
Yes, KEHONG BIO provides custom synthesis services for BAS 07529236 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.