3,3'-Spirobi(3H-1,5-benzodiazepine), 1,1',2,2',4,4',5,5'-octahydro-1,1',5,5'-tetrakis(phenylsulfonyl)-
TL;DR: 3,3'-Spirobi(3H-1,5-benzodiazepine), 1,1',2,2',4,4',5,5'-octahydro-1,1',5,5'-tetrakis(phenylsulfonyl)- (CAS 89754-96-1) is a chemical compound with molecular formula C41H36N4O8S4 and molecular weight 840.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1',5,5'-tetrakis(benzenesulfonyl)-3,3'-spirobi[2,4-dihydro-1,5-benzodiazepine]
Also Known As: 3,3'-Spirobi(3H-1,5-benzodiazepine), 1,1',2,2',4,4',5,5'-octahydro-1,1',5,5'-tetrakis(phenylsulfonyl)-, 1,1',5,5'-tetrakis(benzenesulfonyl)-3,3'-spirobi[2,4-dihydro-1,5-benzodiazepine], 1,1',5,5'-tetrakis(benzenesulfonyl)-3,3'-spirobi[2,4-dihydro, 1,1',2,2',4,4',5,5'-Octahydro-1,1',5,5'-tetrakis(phenylsulfonyl)-3,3'-spirobi[3H-1,5-benzodiazepine], 1,1',5,5'-Tetra(benzenesulfonyl)-1,1',2,2',4,4',5,5'-octahydro-3,3'-spirobi[[1,5]benzodiazepine]
| Molecular Formula | C41H36N4O8S4 |
|---|---|
| Molecular Weight | 840.14 g/mol |
| LogP | 6.1 |
| Topological Polar Surface Area | 183.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 8 |
| Exact Mass | 840.1416 |
| Heavy Atoms | 57 |
| Complexity | 1540.0 |
Chemical Identifiers
| CAS Number | 89754-96-1 |
|---|---|
| SMILES | C1C2(CN(C3=CC=CC=C3N1S(=O)(=O)C4=CC=CC=C4)S(=O)(=O)C5=CC=CC=C5)CN(C6=CC=CC=C6N(C2)S(=O)(=O)C7=CC=CC=C7)S(=O)(=O)C8=CC=CC=C8 |
| InChIKey | FXKPUKOPBVPOBM-UHFFFAOYSA-N |
Product Overview
3,3'-Spirobi(3H-1,5-benzodiazepine), 1,1',2,2',4,4',5,5'-octahydro-1,1',5,5'-tetrakis(phenylsulfonyl)- (CAS 89754-96-1), with molecular formula C41H36N4O8S4 and molecular weight 840.14 g/mol. IUPAC: 1,1',5,5'-tetrakis(benzenesulfonyl)-3,3'-spirobi[2,4-dihydro-1,5-benzodiazepine].
Chemical Property Profile of 3,3'-Spirobi(3H-1,5-benzodiazepine), 1,1',2,2',4,4',5,5'-octahydro-1,1',5,5'-tetrakis(phenylsulfonyl)-
Property Insights of 3,3'-Spirobi(3H-1,5-benzodiazepine), 1,1',2,2',4,4',5,5'-octahydro-1,1',5,5'-tetrakis(phenylsulfonyl)-
The XLogP value of 6.1 indicates that 3,3'-Spirobi(3H-1,5-benzodiazepine), 1,1',2,2',4,4',5,5'-octahydro-1,1',5,5'-tetrakis(phenylsulfonyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 183.0 Ų indicates high polarity, suggesting 3,3'-Spirobi(3H-1,5-benzodiazepine), 1,1',2,2',4,4',5,5'-octahydro-1,1',5,5'-tetrakis(phenylsulfonyl)- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3,3'-Spirobi(3H-1,5-benzodiazepine), 1,1',2,2',4,4',5,5'-octahydro-1,1',5,5'-tetrakis(phenylsulfonyl)- has 0 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3,3'-Spirobi(3H-1,5-benzodiazepine), 1,1',2,2',4,4',5,5'-octahydro-1,1',5,5'-tetrakis(phenylsulfonyl)-?
The CAS number of 3,3'-Spirobi(3H-1,5-benzodiazepine), 1,1',2,2',4,4',5,5'-octahydro-1,1',5,5'-tetrakis(phenylsulfonyl)- is 89754-96-1.
What is the molecular formula of 3,3'-Spirobi(3H-1,5-benzodiazepine), 1,1',2,2',4,4',5,5'-octahydro-1,1',5,5'-tetrakis(phenylsulfonyl)-?
The molecular formula of 3,3'-Spirobi(3H-1,5-benzodiazepine), 1,1',2,2',4,4',5,5'-octahydro-1,1',5,5'-tetrakis(phenylsulfonyl)- is C41H36N4O8S4.
What is the molecular weight of 3,3'-Spirobi(3H-1,5-benzodiazepine), 1,1',2,2',4,4',5,5'-octahydro-1,1',5,5'-tetrakis(phenylsulfonyl)-?
The molecular weight of 3,3'-Spirobi(3H-1,5-benzodiazepine), 1,1',2,2',4,4',5,5'-octahydro-1,1',5,5'-tetrakis(phenylsulfonyl)- is 840.14 g/mol.
Where can I buy 3,3'-Spirobi(3H-1,5-benzodiazepine), 1,1',2,2',4,4',5,5'-octahydro-1,1',5,5'-tetrakis(phenylsulfonyl)-?
You can request a quote for 3,3'-Spirobi(3H-1,5-benzodiazepine), 1,1',2,2',4,4',5,5'-octahydro-1,1',5,5'-tetrakis(phenylsulfonyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3'-Spirobi(3H-1,5-benzodiazepine), 1,1',2,2',4,4',5,5'-octahydro-1,1',5,5'-tetrakis(phenylsulfonyl)-?
Yes, KEHONG BIO provides custom synthesis services for 3,3'-Spirobi(3H-1,5-benzodiazepine), 1,1',2,2',4,4',5,5'-octahydro-1,1',5,5'-tetrakis(phenylsulfonyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.