NCI60_002747
TL;DR: NCI60_002747 (CAS 68930-14-3) is a chemical compound with molecular formula C18H22ClN3O6 and molecular weight 411.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chloro-1-[[6-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]oxy]benzotriazole
Also Known As: NCI60_002747, 6-chloro-1-[[4-(2,2-dimethyl-1,3-dioxolan-4-yl)-7,7-dimethyl-3,6,8-trioxabicyclo[3.3.0]oct-2-yl]oxy]benzotriazole, 6-chloro-1-[[6-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]oxy]benzotriazole, 6-Chloro-1-{[6-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyltetrahydro-2H-furo[3,4-d][1,3]dioxol-4-yl]oxy}-1H-1,2,3-benzotriazole
| Molecular Formula | C18H22ClN3O6 |
|---|---|
| Molecular Weight | 411.12 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 86.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 411.11972 |
| Heavy Atoms | 28 |
| Complexity | 610.0 |
Chemical Identifiers
| CAS Number | 68930-14-3 |
|---|---|
| SMILES | CC1(OCC(O1)C2C3C(C(O2)ON4C5=C(C=CC(=C5)Cl)N=N4)OC(O3)(C)C)C |
| InChIKey | OWFNLJGMWFESNL-UHFFFAOYSA-N |
Product Overview
NCI60_002747 (CAS 68930-14-3), with molecular formula C18H22ClN3O6 and molecular weight 411.12 g/mol. IUPAC: 6-chloro-1-[[6-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]oxy]benzotriazole.
Chemical Property Profile of NCI60_002747
Property Insights of NCI60_002747
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for NCI60_002747. The TPSA of 86.1 Ų falls within the moderate polarity range, balancing permeability and solubility for NCI60_002747. Following Lipinski's Rule of Five, NCI60_002747 has 0 hydrogen bond donor(s) and 8 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 NCI60_002747?
The CAS number of NCI60_002747 is 68930-14-3.
What is the molecular formula of NCI60_002747?
The molecular formula of NCI60_002747 is C18H22ClN3O6.
What is the molecular weight of NCI60_002747?
The molecular weight of NCI60_002747 is 411.12 g/mol.
Where can I buy NCI60_002747?
You can request a quote for NCI60_002747 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCI60_002747?
Yes, KEHONG BIO provides custom synthesis services for NCI60_002747 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.