10X-0822
TL;DR: 10X-0822 (CAS 1005068-80-3) is a chemical compound with molecular formula C23H21ClN4O2 and molecular weight 420.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(3-chlorophenyl)-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)-4-(1,2,4-triazol-1-yl)cyclohexane-1,3-dione
Also Known As: 10X-0822, 5-(3-chlorophenyl)-2-(1,2,3,4-tetrahydro-1-isoquinolinyl)-4-(1H-1,2,4-triazol-1-yl)-1,3-cyclohexanedione, 5-(3-chlorophenyl)-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)-4-(1,2,4-triazol-1-yl)cyclohexane-1,3-dione, 5-(3-chlorophenyl)-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)-4-(1H-1,2,4-triazol-1-yl)cyclohexane-1,3-dione, 1,3-Cyclohexanedione, 5-(3-chlorophenyl)-2-(1,2,3,4-tetrahydro-1-isoquinolinyl)-4-(1H-1,2,4-triazol-1-yl)-
| Molecular Formula | C23H21ClN4O2 |
|---|---|
| Molecular Weight | 420.14 g/mol |
| LogP | 3.3015 |
| Topological Polar Surface Area | 76.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 420.1353 |
| Heavy Atoms | 30 |
| Complexity | 1098.0973 |
Chemical Identifiers
| CAS Number | 1005068-80-3 |
|---|---|
| SMILES | C1CNC(C2=CC=CC=C21)C3C(=O)CC(C(C3=O)N4C=NC=N4)C5=CC(=CC=C5)Cl |
Product Overview
10X-0822 (CAS 1005068-80-3), with molecular formula C23H21ClN4O2 and molecular weight 420.14 g/mol. IUPAC: 5-(3-chlorophenyl)-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)-4-(1,2,4-triazol-1-yl)cyclohexane-1,3-dione.
Chemical Property Profile of 10X-0822
Property Insights of 10X-0822
The XLogP value of 3.3015 indicates that 10X-0822 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.88 Ų falls within the moderate polarity range, balancing permeability and solubility for 10X-0822. Following Lipinski's Rule of Five, 10X-0822 has 1 hydrogen bond donor(s) and 5 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 10X-0822?
The CAS number of 10X-0822 is 1005068-80-3.
What is the molecular formula of 10X-0822?
The molecular formula of 10X-0822 is C23H21ClN4O2.
What is the molecular weight of 10X-0822?
The molecular weight of 10X-0822 is 420.14 g/mol.
Where can I buy 10X-0822?
You can request a quote for 10X-0822 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 10X-0822?
Yes, KEHONG BIO provides custom synthesis services for 10X-0822 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.