![Benzene, 1-isothiocyanato-4-[(trans,trans)-4'-propyl[1,1'-bicyclohexyl]-4-yl]- structure](/static/products/1008/100822-62-6.webp)
Benzene, 1-isothiocyanato-4-[(trans,trans)-4'-propyl[1,1'-bicyclohexyl]-4-yl]-
TL;DR: Benzene, 1-isothiocyanato-4-[(trans,trans)-4'-propyl[1,1'-bicyclohexyl]-4-yl]- (CAS 100822-62-6) is a chemical compound with molecular formula C27H25F5N2O4 and molecular weight 536.17346 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 7-(2-hydroxy-4-phenylbutyl)-2-methyl-5-oxo-4-(2,3,4,5,6-pentafluorophenyl)-1,4,6,8-tetrahydro-1,7-naphthyridine-3-carboxylate
Also Known As: Benzene, 1-isothiocyanato-4-[(trans,trans)-4'-propyl[1,1'-bicyclohexyl]-4-yl]-, methyl 7-(2-hydroxy-4-phenylbutyl)-2-methyl-5-oxo-4-(2,3,4,5,6-pentafluorophenyl)-1,4,6,8-tetrahydro-1,7-naphthyridine-3-carboxylate, methyl 7-(2-hydroxy-4-phenylbutyl)-2-methyl-5-oxo-4-(perfluorophenyl)-1,4,5,6,7,8-hexahydro-1,7-naphthyridine-3-carboxylate
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C27H25F5N2O4 |
| Molecular Weight | 536.17346 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 78.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 8 |
| Exact Mass | 536.17346 Da |
| Heavy Atoms | 38 |
| Complexity | 953.0 |
| SMILES | CC1=C(C(C2=C(N1)CN(CC2=O)CC(CCC3=CC=CC=C3)O)C4=C(C(=C(C(=C4F)F)F)F)F)C(=O)OC |
| InChIKey | PMQRPMQRRPQPAC-UHFFFAOYSA-N |
Chemical Property Profile of Benzene, 1-isothiocyanato-4-[(trans,trans)-4'-propyl[1,1'-bicyclohexyl]-4-yl]-
Property Insights of Benzene, 1-isothiocyanato-4-[(trans,trans)-4'-propyl[1,1'-bicyclohexyl]-4-yl]-
The XLogP value of 3.9 indicates that Benzene, 1-isothiocyanato-4-[(trans,trans)-4'-propyl[1,1'-bicyclohexyl]-4-yl]- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzene, 1-isothiocyanato-4-[(trans,trans)-4'-propyl[1,1'-bicyclohexyl]-4-yl]-. Following Lipinski's Rule of Five, Benzene, 1-isothiocyanato-4-[(trans,trans)-4'-propyl[1,1'-bicyclohexyl]-4-yl]- has 2 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Benzene, 1-isothiocyanato-4-[(trans,trans)-4'-propyl[1,1'-bicyclohexyl]-4-yl]-?
The CAS number of Benzene, 1-isothiocyanato-4-[(trans,trans)-4'-propyl[1,1'-bicyclohexyl]-4-yl]- is 100822-62-6.
What is the molecular formula of Benzene, 1-isothiocyanato-4-[(trans,trans)-4'-propyl[1,1'-bicyclohexyl]-4-yl]-?
The molecular formula of Benzene, 1-isothiocyanato-4-[(trans,trans)-4'-propyl[1,1'-bicyclohexyl]-4-yl]- is C27H25F5N2O4.
What is the molecular weight of Benzene, 1-isothiocyanato-4-[(trans,trans)-4'-propyl[1,1'-bicyclohexyl]-4-yl]-?
The molecular weight of Benzene, 1-isothiocyanato-4-[(trans,trans)-4'-propyl[1,1'-bicyclohexyl]-4-yl]- is 536.17346 g/mol.
Where can I buy Benzene, 1-isothiocyanato-4-[(trans,trans)-4'-propyl[1,1'-bicyclohexyl]-4-yl]-?
You can request a quote for Benzene, 1-isothiocyanato-4-[(trans,trans)-4'-propyl[1,1'-bicyclohexyl]-4-yl]- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzene, 1-isothiocyanato-4-[(trans,trans)-4'-propyl[1,1'-bicyclohexyl]-4-yl]-?
Yes, CoreyChem provides custom synthesis services for Benzene, 1-isothiocyanato-4-[(trans,trans)-4'-propyl[1,1'-bicyclohexyl]-4-yl]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.