J1.801.164F
TL;DR: J1.801.164F (CAS 491831-49-3) is a chemical compound with molecular formula C36H45N4O9P and molecular weight 708.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3R)-4-[[1-[[(2S)-4-amino-1-(3-naphthalen-1-ylpropylamino)-1,4-dioxobutan-2-yl]carbamoyl]cyclohexyl]amino]-4-oxo-3-[[4-(phosphonomethyl)phenyl]methyl]butanoic acid
Also Known As: J1.801.164F, (3R)-4-[[1-[[(2S)-4-amino-1-(3-naphthalen-1-ylpropylamino)-1, (3R)-3-[1-[[(1S)-1-[3-(1-Naphthyl)propylaminocarbonyl]-3-amino-3-oxopropyl]aminocarbonyl]cyclohexylaminocarbonyl]-4-[4-(phosphonomethyl)phenyl]butyric acid, (.beta.R)-.beta.-[[[1-[[[(1S)-3-amino-1-[[[3-(1-naphthalenyl)propyl]amino]carbonyl]-3-oxopropyl]amino]carbonyl]cyclohexyl]amino]carbonyl]-4-(phosphonomethyl)-benzene butanoic acid, (3R)-3-[(1-{[(1S)-2-carbamoyl-1-{[3-(naphthalen-1-yl)propyl]carbamoyl}ethyl]carbamoyl}cyclohexyl)carbamoyl]-4-[4-(phosphonomethyl)phenyl]butanoic acid
| Molecular Formula | C36H45N4O9P |
|---|---|
| Molecular Weight | 708.29 g/mol |
| LogP | 3.0792 |
| Topological Polar Surface Area | 225.22 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 17 |
| Exact Mass | 708.2924 |
| Heavy Atoms | 50 |
| Complexity | 1729.6068 |
Chemical Identifiers
| CAS Number | 491831-49-3 |
|---|---|
| SMILES | C1CCC(CC1)(C(=O)N[C@@H](CC(=O)N)C(=O)NCCCC2=CC=CC3=CC=CC=C32)NC(=O)[C@H](CC4=CC=C(C=C4)CP(=O)(O)O)CC(=O)O |
Product Overview
J1.801.164F (CAS 491831-49-3), with molecular formula C36H45N4O9P and molecular weight 708.29 g/mol. IUPAC: (3R)-4-[[1-[[(2S)-4-amino-1-(3-naphthalen-1-ylpropylamino)-1,4-dioxobutan-2-yl]carbamoyl]cyclohexyl]amino]-4-oxo-3-[[4-(phosphonomethyl)phenyl]methyl]butanoic acid.
Chemical Property Profile of J1.801.164F
Property Insights of J1.801.164F
The XLogP value of 3.0792 indicates that J1.801.164F is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 225.22 Ų indicates high polarity, suggesting J1.801.164F may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, J1.801.164F has 7 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 J1.801.164F?
The CAS number of J1.801.164F is 491831-49-3.
What is the molecular formula of J1.801.164F?
The molecular formula of J1.801.164F is C36H45N4O9P.
What is the molecular weight of J1.801.164F?
The molecular weight of J1.801.164F is 708.29 g/mol.
Where can I buy J1.801.164F?
You can request a quote for J1.801.164F directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for J1.801.164F?
Yes, KEHONG BIO provides custom synthesis services for J1.801.164F and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.