3-Carboxy-4-nitrophenyldithio-1,1',2-trisnorsqualene
TL;DR: 3-Carboxy-4-nitrophenyldithio-1,1',2-trisnorsqualene (CAS 151868-50-7) is a chemical compound with molecular formula C34H49NO4S2 and molecular weight 599.3103 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-nitro-5-[[(4Z,8Z,12Z,16Z)-5,9,13,17,21-pentamethyldocosa-4,8,12,16,20-pentaenyl]disulfanyl]benzoic acid
Also Known As: Cndt-squalene, 3-Carboxy-4-nitrophenyldithio-1,1',2-trisnorsqualene, 2-nitro-5-[[(4Z,8Z,12Z,16Z)-5,9,13,17,21-pentamethyldocosa-4,8,12,16,20-pentaenyl]disulfanyl]benzoic acid
Technical Specifications
| Molecular Formula | C34H49NO4S2 |
| Molecular Weight | 599.3103 g/mol |
| XLogP | 11.8 |
| Topological Polar Surface Area (TPSA) | 134.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 19 |
| Exact Mass | 599.3103 Da |
| Heavy Atoms | 41 |
| Complexity | 954.0 |
| SMILES | CC(=CCC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CCCSSC1=CC(=C(C=C1)[N+](=O)[O-])C(=O)O)/C)/C)/C)/C)C |
| InChIKey | LOFWGUHSPHTEBG-RBTKMAPZSA-N |
Chemical Property Profile of 3-Carboxy-4-nitrophenyldithio-1,1',2-trisnorsqualene
Property Insights of 3-Carboxy-4-nitrophenyldithio-1,1',2-trisnorsqualene
The XLogP value of 11.8 indicates that 3-Carboxy-4-nitrophenyldithio-1,1',2-trisnorsqualene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 134.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Carboxy-4-nitrophenyldithio-1,1',2-trisnorsqualene. Following Lipinski's Rule of Five, 3-Carboxy-4-nitrophenyldithio-1,1',2-trisnorsqualene has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 3-Carboxy-4-nitrophenyldithio-1,1',2-trisnorsqualene?
The CAS number of 3-Carboxy-4-nitrophenyldithio-1,1',2-trisnorsqualene is 151868-50-7.
What is the molecular formula of 3-Carboxy-4-nitrophenyldithio-1,1',2-trisnorsqualene?
The molecular formula of 3-Carboxy-4-nitrophenyldithio-1,1',2-trisnorsqualene is C34H49NO4S2.
What is the molecular weight of 3-Carboxy-4-nitrophenyldithio-1,1',2-trisnorsqualene?
The molecular weight of 3-Carboxy-4-nitrophenyldithio-1,1',2-trisnorsqualene is 599.3103 g/mol.
Where can I buy 3-Carboxy-4-nitrophenyldithio-1,1',2-trisnorsqualene?
You can request a quote for 3-Carboxy-4-nitrophenyldithio-1,1',2-trisnorsqualene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Carboxy-4-nitrophenyldithio-1,1',2-trisnorsqualene?
Yes, CoreyChem provides custom synthesis services for 3-Carboxy-4-nitrophenyldithio-1,1',2-trisnorsqualene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.