Org 20769
TL;DR: Org 20769 (CAS 141545-49-5) is a chemical compound with molecular formula C14H16N4O4S and molecular weight 336.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-thiazole-5-carbonitrile;but-2-enedioic acid
Also Known As: Org 20769, 2-Amino-4-(1-methyl-1,2,5,6-tetrahydropyridin-4-yl)-thiazole-5-carbonitrile 2-butenedioate, 2-amino-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-thiazole-5-carbonitrile; but-2-enedioic acid, 2-amino-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-thiazole-5-carbonitrile;but-2-enedioic acid, RefChem:909536
| Molecular Formula | C14H16N4O4S |
|---|---|
| Molecular Weight | 336.09 g/mol |
| LogP | 1.02768 |
| Topological Polar Surface Area | 169.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 336.08923 |
| Heavy Atoms | 23 |
| Complexity | 438.0 |
Chemical Identifiers
| CAS Number | 141545-49-5 |
|---|---|
| SMILES | CN1CCC(=CC1)C2=C(SC(=N2)N)C#N.C(=CC(=O)O)C(=O)O |
| InChIKey | QJJVKMAXNLEFDL-UHFFFAOYSA-N |
Product Overview
Org 20769 (CAS 141545-49-5), with molecular formula C14H16N4O4S and molecular weight 336.09 g/mol. IUPAC: 2-amino-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-thiazole-5-carbonitrile;but-2-enedioic acid.
Chemical Property Profile of Org 20769
Property Insights of Org 20769
The XLogP value of 1.02768 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Org 20769. The TPSA of 169.0 Ų indicates high polarity, suggesting Org 20769 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Org 20769 has 3 hydrogen bond donor(s) and 9 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 Org 20769?
The CAS number of Org 20769 is 141545-49-5.
What is the molecular formula of Org 20769?
The molecular formula of Org 20769 is C14H16N4O4S.
What is the molecular weight of Org 20769?
The molecular weight of Org 20769 is 336.09 g/mol.
Where can I buy Org 20769?
You can request a quote for Org 20769 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Org 20769?
Yes, KEHONG BIO provides custom synthesis services for Org 20769 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.