J-104123
TL;DR: J-104123 (CAS 162037-54-9) is a chemical compound with molecular formula C28H29Cl2NO3 and molecular weight 497.15244 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3R)-5-[[(E,2S,3S)-3-[(3,4-dichlorophenyl)methyl]-5-naphthalen-2-ylpent-4-en-2-yl]amino]-3-methyl-5-oxopentanoic acid
Also Known As: J-104123, (3R)-4-{[(2S,3S,4E)-3-[(3,4-dichlorophenyl)methyl]-5-(naphthalen-2-yl)pent-4-en-2-yl]carbamoyl}-3-methylbutanoic acid, (3R)-5-[[(E,2S,3S)-3-[(3,4-dichlorophenyl)methyl]-5-naphthalen-2-ylpent-4-en-2-yl]amino]-3-methyl-5-oxopentanoic acid, (3R)-4-(((2S,3S,4E)-3-((3,4-dichlorophenyl)methyl)-5-(naphthalen-2-yl)pent-4-en-2-yl)carbamoyl)-3-methylbutanoic acid, (R)-4-[(E)-(1S,2S)-2-(3,4-Dichloro-benzyl)-1-methyl-4-naphthalen-2-yl-but-3-enylcarbamoyl]-3-methyl-butyric acid
Technical Specifications
| Molecular Formula | C28H29Cl2NO3 |
| Molecular Weight | 497.15244 g/mol |
| XLogP | 7.1 |
| Topological Polar Surface Area (TPSA) | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 10 |
| Exact Mass | 497.15244 Da |
| Heavy Atoms | 34 |
| Complexity | 699.0 |
| SMILES | C[C@H](CC(=O)N[C@@H](C)[C@@H](CC1=CC(=C(C=C1)Cl)Cl)/C=C/C2=CC3=CC=CC=C3C=C2)CC(=O)O |
| InChIKey | LVRZMZFXRFKCCY-KSYFVSBMSA-N |
Chemical Property Profile of J-104123
Property Insights of J-104123
The XLogP value of 7.1 indicates that J-104123 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for J-104123. Following Lipinski's Rule of Five, J-104123 has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of J-104123?
The CAS number of J-104123 is 162037-54-9.
What is the molecular formula of J-104123?
The molecular formula of J-104123 is C28H29Cl2NO3.
What is the molecular weight of J-104123?
The molecular weight of J-104123 is 497.15244 g/mol.
Where can I buy J-104123?
You can request a quote for J-104123 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for J-104123?
Yes, CoreyChem provides custom synthesis services for J-104123 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.