KY021
TL;DR: KY021 (CAS 341986-84-3) is a chemical compound with molecular formula C29H28N2O4 and molecular weight 468.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S)-2-benzyl-7-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
Also Known As: KY021, J2.567.626B, (3S)-1,2,3,4-Tetrahydro-7-(2-(5-methyl-2-phenyl-4-oxazolyl)ethoxy)-2-(phenylmethyl)-3-isoquinolinecarboxylic acid, 3-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-7-(2-(5-methyl-2-phenyl-4-oxazolyl)ethoxy)-2-(phenylmethyl)-, (3S)-, (3S)-2-Benzyl-7-[2-(2-phenyl-5-methyl-4-oxazolyl)ethoxy]-1,2,3,4-tetrahydroisoquinoline-3alpha-carboxylic acid
| Molecular Formula | C29H28N2O4 |
|---|---|
| Molecular Weight | 468.20 g/mol |
| LogP | 5.28302 |
| Topological Polar Surface Area | 75.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 468.2049 |
| Heavy Atoms | 35 |
| Complexity | 1301.0286 |
Chemical Identifiers
| CAS Number | 341986-84-3 |
|---|---|
| SMILES | CC1=C(N=C(O1)C2=CC=CC=C2)CCOC3=CC4=C(C[C@H](N(C4)CC5=CC=CC=C5)C(=O)O)C=C3 |
Product Overview
KY021 (CAS 341986-84-3), with molecular formula C29H28N2O4 and molecular weight 468.20 g/mol. IUPAC: (3S)-2-benzyl-7-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid.
Chemical Property Profile of KY021
Property Insights of KY021
The XLogP value of 5.28302 indicates that KY021 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.8 Ų falls within the moderate polarity range, balancing permeability and solubility for KY021. Following Lipinski's Rule of Five, KY021 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of KY021?
The CAS number of KY021 is 341986-84-3.
What is the molecular formula of KY021?
The molecular formula of KY021 is C29H28N2O4.
What is the molecular weight of KY021?
The molecular weight of KY021 is 468.20 g/mol.
Where can I buy KY021?
You can request a quote for KY021 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for KY021?
Yes, KEHONG BIO provides custom synthesis services for KY021 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.