1,2',11'-triphenyl-3a,9a,12a,12b,12c,12d-hexahydro-3aH-spiro
TL;DR: 1,2',11'-triphenyl-3a,9a,12a,12b,12c,12d-hexahydro-3aH-spiro (CAS 40120-04-5) is a chemical compound with molecular formula C37H28N4O6 and molecular weight 624.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1',5,17-triphenylspiro[5,9,17-triazapentacyclo[10.7.0.02,9.03,7.015,19]nonadeca-10,12-diene-8,3'-pyrrolidine]-2',4,5',6,16,18-hexone
Also Known As: 1,2',11'-triphenyl-3a,9a,12a,12b,12c,12d-hexahydro-3aH-spiro, 1',5,17-Triphenylspiro[5,9,17-triazapentacyclo[10.7.0.02,9.03,7.015,19]nonadeca-10,12-diene-8,3'-pyrrolidine]-2',4,5',6,16,18-hexone, 1,2',11'-Triphenyl-3'a,9'a,12'a,12'b,12'c,12'd-hexahydro-1'H-spiro[pyrrolidine-3,9'-pyrrolo[3,4-h]pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline]-1',2,3',5,10',12'(2'H,4'H,11'H)-hexone
| Molecular Formula | C37H28N4O6 |
|---|---|
| Molecular Weight | 624.20 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 115.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 624.20087 |
| Heavy Atoms | 47 |
| Complexity | 1500.0 |
Chemical Identifiers
| CAS Number | 40120-04-5 |
|---|---|
| SMILES | C1C=C2C=CN3C(C2C4C1C(=O)N(C4=O)C5=CC=CC=C5)C6C(C37CC(=O)N(C7=O)C8=CC=CC=C8)C(=O)N(C6=O)C9=CC=CC=C9 |
| InChIKey | JYAPBQRSYOBSDE-UHFFFAOYSA-N |
Product Overview
1,2',11'-triphenyl-3a,9a,12a,12b,12c,12d-hexahydro-3aH-spiro (CAS 40120-04-5), with molecular formula C37H28N4O6 and molecular weight 624.20 g/mol. IUPAC: 1',5,17-triphenylspiro[5,9,17-triazapentacyclo[10.7.0.02,9.03,7.015,19]nonadeca-10,12-diene-8,3'-pyrrolidine]-2',4,5',6,16,18-hexone.
Chemical Property Profile of 1,2',11'-triphenyl-3a,9a,12a,12b,12c,12d-hexahydro-3aH-spiro
Property Insights of 1,2',11'-triphenyl-3a,9a,12a,12b,12c,12d-hexahydro-3aH-spiro
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2',11'-triphenyl-3a,9a,12a,12b,12c,12d-hexahydro-3aH-spiro. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2',11'-triphenyl-3a,9a,12a,12b,12c,12d-hexahydro-3aH-spiro. Following Lipinski's Rule of Five, 1,2',11'-triphenyl-3a,9a,12a,12b,12c,12d-hexahydro-3aH-spiro has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,2',11'-triphenyl-3a,9a,12a,12b,12c,12d-hexahydro-3aH-spiro?
The CAS number of 1,2',11'-triphenyl-3a,9a,12a,12b,12c,12d-hexahydro-3aH-spiro is 40120-04-5.
What is the molecular formula of 1,2',11'-triphenyl-3a,9a,12a,12b,12c,12d-hexahydro-3aH-spiro?
The molecular formula of 1,2',11'-triphenyl-3a,9a,12a,12b,12c,12d-hexahydro-3aH-spiro is C37H28N4O6.
What is the molecular weight of 1,2',11'-triphenyl-3a,9a,12a,12b,12c,12d-hexahydro-3aH-spiro?
The molecular weight of 1,2',11'-triphenyl-3a,9a,12a,12b,12c,12d-hexahydro-3aH-spiro is 624.20 g/mol.
Where can I buy 1,2',11'-triphenyl-3a,9a,12a,12b,12c,12d-hexahydro-3aH-spiro?
You can request a quote for 1,2',11'-triphenyl-3a,9a,12a,12b,12c,12d-hexahydro-3aH-spiro directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2',11'-triphenyl-3a,9a,12a,12b,12c,12d-hexahydro-3aH-spiro?
Yes, KEHONG BIO provides custom synthesis services for 1,2',11'-triphenyl-3a,9a,12a,12b,12c,12d-hexahydro-3aH-spiro and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.