J1.384.599I
TL;DR: J1.384.599I (CAS 202468-72-2) is a chemical compound with molecular formula C22H32N4O4 and molecular weight 416.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S)-3-[[2-[(3R)-2-oxo-3-(2-piperidin-4-ylethyl)piperidin-1-yl]acetyl]amino]-3-pyridin-3-ylpropanoic acid
Also Known As: J1.384.599I, (S)-3-{2-[(R)-2-Oxo-3-(2-piperidin-4-yl-ethyl)-piperidin-1-yl]-acetylamino}-3-pyridin-3-yl-propionic acid, (3S)-3-(2-{(3R)-2-Oxo-3-[2-(piperidin-4-yl)ethyl]piperidin-1-yl}acetamido)-3-(pyridin-3-yl)propanoic acid, (3S)-3-{2-[(3R)-2-oxo-3-[2-(piperidin-4-yl)ethyl]piperidin-1-yl]acetamido}-3-(pyridin-3-yl)propanoic acid, (3S)-N-[[(3R)-2-Oxo-3alpha-[2-(4-piperidinyl)ethyl]piperidino]acetyl]-3-(3-pyridinyl)-beta-alanine
| Molecular Formula | C22H32N4O4 |
|---|---|
| Molecular Weight | 416.24 g/mol |
| LogP | 1.732 |
| Topological Polar Surface Area | 111.63 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 416.24237 |
| Heavy Atoms | 30 |
| Complexity | 721.10754 |
Chemical Identifiers
| CAS Number | 202468-72-2 |
|---|---|
| SMILES | C1C[C@H](C(=O)N(C1)CC(=O)N[C@@H](CC(=O)O)C2=CN=CC=C2)CCC3CCNCC3 |
Product Overview
J1.384.599I (CAS 202468-72-2), with molecular formula C22H32N4O4 and molecular weight 416.24 g/mol. IUPAC: (3S)-3-[[2-[(3R)-2-oxo-3-(2-piperidin-4-ylethyl)piperidin-1-yl]acetyl]amino]-3-pyridin-3-ylpropanoic acid.
Chemical Property Profile of J1.384.599I
Property Insights of J1.384.599I
The XLogP value of 1.732 suggests moderate lipophilicity, balancing water solubility and membrane permeability for J1.384.599I. The TPSA of 111.63 Ų falls within the moderate polarity range, balancing permeability and solubility for J1.384.599I. Following Lipinski's Rule of Five, J1.384.599I has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of J1.384.599I?
The CAS number of J1.384.599I is 202468-72-2.
What is the molecular formula of J1.384.599I?
The molecular formula of J1.384.599I is C22H32N4O4.
What is the molecular weight of J1.384.599I?
The molecular weight of J1.384.599I is 416.24 g/mol.
Where can I buy J1.384.599I?
You can request a quote for J1.384.599I directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for J1.384.599I?
Yes, KEHONG BIO provides custom synthesis services for J1.384.599I and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.