F 1394
TL;DR: F 1394 (CAS 162490-89-3) is a chemical compound with molecular formula C33H61N3O6 and molecular weight 595.46 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,2S)-2-[[2,2-dimethylpropyl(nonyl)carbamoyl]amino]cyclohexyl] 3-[[(4R)-2,2,5,5-tetramethyl-1,3-dioxane-4-carbonyl]amino]propanoate
Also Known As: [(1S,2S)-2-[[2,2-dimethylpropyl(nonyl)carbamoyl]amino]cyclohexyl] 3-[[(4R)-2,2,5,5-tetramethyl-1,3-dioxane-4-carbonyl]amino]propanoate|(1S,2S)-2-(((2,2-DIMETHYLPROPYL)(NONYL)CARBAMOYL)AMINO)CYCLOHEXYL 3-(((4R)-2,2,5,5-TETRAMETHYL-1,3-DIOXAN-4-YL)FORMAMIDO)PROPANOATE|(1S,2S)-2-(3-Neopentyl-3-nonylureido)cyclohexyl 3-((R)-2,2,5,5-tetramethyl-1,3-dioxane-4-carboxamido)propanoate|(1S,2S)-2-{[(2,2-Dimethylpropyl)(nonyl)carbamoyl]amino}cyclohexyl N-[(4R)-2,2,5,5-tetramethyl-1,3-dioxane-4-carbonyl]-beta-alaninate|.BETA.-ALANINE, N-(((4R)-2,2,5,5-TETRAMETHYL-1,3-DIOXAN-4-YL)CARBONYL)-, (1S,2S)-2-((((2,2-DIMETHYLPROPYL)NONYLAMINO)CARBONYL)AMINO)CYCLOHEXYL ESTER|beta-Alanine, N-((2,2,5,5-tetramethyl-1,3-dioxan-4-yl)carbonyl)-, 2-((((2,2-dimethylpropyl)nonylamino)carbonyl)amino)cyclohexyl ester, (1S-(1alph((S*),2beta))-|N-(((4R)-2,2,5,5-TETRAMETHYL-1,3-DIOXAN-4-YL)CARBONYL)-.BETA.-ALANINE (1S,2S)-2-((((2,2-DIMETHYLPROPYL)NONYLAMINO)CARBONYL)AMINO)CYCLOHEXYL ESTER|RefChem:139813|DTXCID4089868|UNII-D2PP33VT2P|orb1739124|BDBM50436124
| Molecular Formula | C33H61N3O6 |
|---|---|
| Molecular Weight | 595.46 g/mol |
| LogP | 7.2 |
| Topological Polar Surface Area | 106.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 17 |
| Exact Mass | 595.45605 |
| Heavy Atoms | 42 |
| Complexity | 853.0 |
Chemical Identifiers
| CAS Number | 162490-89-3 |
|---|---|
| SMILES | CCCCCCCCCN(CC(C)(C)C)C(=O)N[C@H]1CCCC[C@@H]1OC(=O)CCNC(=O)[C@H]2C(COC(O2)(C)C)(C)C |
| InChIKey | NWLFOBZKYXKBOF-NSVAZKTRSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
F 1394 (CAS 162490-89-3), with molecular formula C33H61N3O6 and molecular weight 595.46 g/mol. IUPAC: [(1S,2S)-2-[[2,2-dimethylpropyl(nonyl)carbamoyl]amino]cyclohexyl] 3-[[(4R)-2,2,5,5-tetramethyl-1,3-dioxane-4-carbonyl]amino]propanoate.
Chemical Property Profile of F 1394
Property Insights of F 1394
The XLogP value of 7.2 indicates that F 1394 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for F 1394. Following Lipinski's Rule of Five, F 1394 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F 1394?
The CAS number of F 1394 is 162490-89-3.
What is the molecular formula of F 1394?
The molecular formula of F 1394 is C33H61N3O6.
What is the molecular weight of F 1394?
The molecular weight of F 1394 is 595.46 g/mol.
Where can I buy F 1394?
You can request a quote for F 1394 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F 1394?
Yes, KEHONG BIO provides custom synthesis services for F 1394 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.