Org 20091
TL;DR: Org 20091 (CAS 141545-50-8) is a chemical compound with molecular formula C13H16ClN3O4S and molecular weight 345.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;5-chloro-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,3-thiazol-2-amine
Also Known As: Org 20091, 5-Chloro-4-(1-methyl-1,2,5,6-tetrahydropyridin-3-yl)-thiazole-2-amine 2-butenedioate, (E)-but-2-enedioic acid;5-chloro-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,3-thiazol-2-amine, 2-Thiazolamine, 5-chloro-4-(1,2,5,6-tetrahydro-1-methyl-3-pyridinyl)-, (Z)-2-butenedioate (2:1), (E)-but-2-enedioic acid; 5-chloro-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,3-thiazol-2-amine
| Molecular Formula | C13H16ClN3O4S |
|---|---|
| Molecular Weight | 345.06 g/mol |
| LogP | 1.8094 |
| Topological Polar Surface Area | 116.75 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 345.055 |
| Heavy Atoms | 22 |
| Complexity | 596.4264 |
Chemical Identifiers
| CAS Number | 141545-50-8 |
|---|---|
| SMILES | CN1CCC=C(C1)C2=C(SC(=N2)N)Cl.C(=C/C(=O)O)\C(=O)O |
Product Overview
Org 20091 (CAS 141545-50-8), with molecular formula C13H16ClN3O4S and molecular weight 345.06 g/mol. IUPAC: (E)-but-2-enedioic acid;5-chloro-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,3-thiazol-2-amine.
Chemical Property Profile of Org 20091
Property Insights of Org 20091
The XLogP value of 1.8094 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Org 20091. The TPSA of 116.75 Ų falls within the moderate polarity range, balancing permeability and solubility for Org 20091. Following Lipinski's Rule of Five, Org 20091 has 3 hydrogen bond donor(s) and 6 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 20091?
The CAS number of Org 20091 is 141545-50-8.
What is the molecular formula of Org 20091?
The molecular formula of Org 20091 is C13H16ClN3O4S.
What is the molecular weight of Org 20091?
The molecular weight of Org 20091 is 345.06 g/mol.
Where can I buy Org 20091?
You can request a quote for Org 20091 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Org 20091?
Yes, KEHONG BIO provides custom synthesis services for Org 20091 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.