J1.414.807H
TL;DR: J1.414.807H (CAS 258864-62-9) is a chemical compound with molecular formula C30H41N3O4 and molecular weight 507.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3R)-3-(2-methylpropyl)-N'-[(3S)-2-oxo-1-[(3-phenoxyphenyl)methyl]azepan-3-yl]-2-propylbutanediamide
Also Known As: J1.414.807H, (2R,3S)-N1-[(3S)-Hexahydro-2-oxo-1-[(3-phenoxyphenyl)methyl]-1H-azepin-3-yl]-2-(2-methylpropyl)-3-propylbutanediamide, (2R,3S)-2-(2-methylpropyl)-N-[(3S)-2-oxo-1-[(3-phenoxyphenyl)methyl]azepan-3-yl]-3-propylbutanediamide, (2R,3S)-N-[1-(3-Phenoxybenzyl)-2,3,4,5,6,7-hexahydro-2-oxo-1H-azepine-3beta-yl]-2-isobutyl-3-propylbutanediamide
| Molecular Formula | C30H41N3O4 |
|---|---|
| Molecular Weight | 507.31 g/mol |
| LogP | 5.0401 |
| Topological Polar Surface Area | 101.73 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 12 |
| Exact Mass | 507.3097 |
| Heavy Atoms | 37 |
| Complexity | 1040.1318 |
Chemical Identifiers
| CAS Number | 258864-62-9 |
|---|---|
| SMILES | CCC[C@@H]([C@@H](CC(C)C)C(=O)N[C@H]1CCCCN(C1=O)CC2=CC(=CC=C2)OC3=CC=CC=C3)C(=O)N |
Product Overview
J1.414.807H (CAS 258864-62-9), with molecular formula C30H41N3O4 and molecular weight 507.31 g/mol. IUPAC: (2S,3R)-3-(2-methylpropyl)-N'-[(3S)-2-oxo-1-[(3-phenoxyphenyl)methyl]azepan-3-yl]-2-propylbutanediamide.
Chemical Property Profile of J1.414.807H
Property Insights of J1.414.807H
The XLogP value of 5.0401 indicates that J1.414.807H is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.73 Ų falls within the moderate polarity range, balancing permeability and solubility for J1.414.807H. Following Lipinski's Rule of Five, J1.414.807H has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of J1.414.807H?
The CAS number of J1.414.807H is 258864-62-9.
What is the molecular formula of J1.414.807H?
The molecular formula of J1.414.807H is C30H41N3O4.
What is the molecular weight of J1.414.807H?
The molecular weight of J1.414.807H is 507.31 g/mol.
Where can I buy J1.414.807H?
You can request a quote for J1.414.807H directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for J1.414.807H?
Yes, KEHONG BIO provides custom synthesis services for J1.414.807H and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.