J1.447.840J
TL;DR: J1.447.840J (CAS 169512-45-2) is a chemical compound with molecular formula C26H44N4O7 and molecular weight 524.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S)-4-[[(1S)-1-carboxy-2-cyclohexylethyl]amino]-3-[[2-[ethyl(4-piperidin-4-ylbutanoyl)amino]acetyl]amino]-4-oxobutanoic acid
Also Known As: J1.447.840J, (3S)-3-(((1S)-1-Carboxy-2-cyclohexylethyl)carbamoyl)-3-(2-(N-ethyl-4-(piperidin-4-yl)butanamido)acetamido)propanoic acid, L-Alanine, N-ethyl-N-(1-oxo-4-(4-piperidinyl)butyl)glycyl-L-alpha-aspartyl-3-cyclohexyl-, L-Alanine, 3-cyclohexyl-N-(N-(N-ethyl-N-(1-oxo-4-(4-piperidinyl)butyl)glycyl)-L-alpha-aspartyl)-, L-ALANINE, 3-CYCLOHEXYL-N-(N-(N-ETHYL-N-(1-OXO-4-(4-PIPERIDINYL)BUTYL)GLYCYL)-L-.ALPHA.-ASPARTYL)-
| Molecular Formula | C26H44N4O7 |
|---|---|
| Molecular Weight | 524.32 g/mol |
| LogP | 1.5041 |
| Topological Polar Surface Area | 165.14 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 15 |
| Exact Mass | 524.321 |
| Heavy Atoms | 37 |
| Complexity | 778.88684 |
Chemical Identifiers
| CAS Number | 169512-45-2 |
|---|---|
| SMILES | CCN(CC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC1CCCCC1)C(=O)O)C(=O)CCCC2CCNCC2 |
Product Overview
J1.447.840J (CAS 169512-45-2), with molecular formula C26H44N4O7 and molecular weight 524.32 g/mol. IUPAC: (3S)-4-[[(1S)-1-carboxy-2-cyclohexylethyl]amino]-3-[[2-[ethyl(4-piperidin-4-ylbutanoyl)amino]acetyl]amino]-4-oxobutanoic acid.
Chemical Property Profile of J1.447.840J
Property Insights of J1.447.840J
The XLogP value of 1.5041 suggests moderate lipophilicity, balancing water solubility and membrane permeability for J1.447.840J. The TPSA of 165.14 Ų indicates high polarity, suggesting J1.447.840J may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, J1.447.840J has 5 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 J1.447.840J?
The CAS number of J1.447.840J is 169512-45-2.
What is the molecular formula of J1.447.840J?
The molecular formula of J1.447.840J is C26H44N4O7.
What is the molecular weight of J1.447.840J?
The molecular weight of J1.447.840J is 524.32 g/mol.
Where can I buy J1.447.840J?
You can request a quote for J1.447.840J directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for J1.447.840J?
Yes, KEHONG BIO provides custom synthesis services for J1.447.840J and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.