CTK8D7090
TL;DR: CTK8D7090 (CAS 68049-73-0) is a chemical compound with molecular formula C13H13Cl2N3O2 and molecular weight 313.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,4-dichloro-5-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
Also Known As: Amides, C14-18, N-(2-hydroxypropyl), J1.593.218J, (C14-C18) Alkylcarboxylic acid, monoisopropanolamide, 1,2,4-Triazolo[4,3-a]pyridin-3(2H)-one, 2-(2,4-dichloro-5-methoxyphenyl)-5,6,7,8-tetrahydro-, 2-(2,4-dichloro-5-methoxyphenyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-3(2h)-one
| Molecular Formula | C13H13Cl2N3O2 |
|---|---|
| Molecular Weight | 313.04 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 45.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 313.03848 |
| Heavy Atoms | 20 |
| Complexity | 432.0 |
Chemical Identifiers
| CAS Number | 68049-73-0 |
|---|---|
| SMILES | COC1=C(C=C(C(=C1)N2C(=O)N3CCCCC3=N2)Cl)Cl |
| InChIKey | MJYODARZVYIKGH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
CTK8D7090 (CAS 68049-73-0), with molecular formula C13H13Cl2N3O2 and molecular weight 313.04 g/mol. IUPAC: 2-(2,4-dichloro-5-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one.
Chemical Property Profile of CTK8D7090
Property Insights of CTK8D7090
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CTK8D7090. With a topological polar surface area (TPSA) of 45.1 Ų, CTK8D7090 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, CTK8D7090 has 0 hydrogen bond donor(s) and 3 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 CTK8D7090?
The CAS number of CTK8D7090 is 68049-73-0.
What is the molecular formula of CTK8D7090?
The molecular formula of CTK8D7090 is C13H13Cl2N3O2.
What is the molecular weight of CTK8D7090?
The molecular weight of CTK8D7090 is 313.04 g/mol.
Where can I buy CTK8D7090?
You can request a quote for CTK8D7090 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CTK8D7090?
Yes, KEHONG BIO provides custom synthesis services for CTK8D7090 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.