C22H20ClN7O6
TL;DR: C22H20ClN7O6 (CAS 329709-56-0) is a chemical compound with molecular formula C22H20ClN7O6 and molecular weight 513.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-3-methyl-8-[(2E)-2-[(3-nitrophenyl)methylidene]hydrazinyl]purine-2,6-dione
Also Known As: 7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-3-methyl-8-[(2E)-2-(3-nitrobenzylidene)hydrazinyl]-3,7-dihydro-1H-purine-2,6-dione, (E)-7-(3-(4-chlorophenoxy)-2-hydroxypropyl)-3-methyl-8-(2-(3-nitrobenzylidene)hydrazinyl)-1H-purine-2,6(3H,7H)-dione, 3-NITROBENZALDEHYDE {7-[3-(4-CHLOROPHENOXY)-2-HYDROXYPROPYL]-3-METHYL-2,6-DIOXO-2,3,6,7-TETRAHYDRO-1H-PURIN-8-YL}HYDRAZONE
| Molecular Formula | C22H20ClN7O6 |
|---|---|
| Molecular Weight | 513.12 g/mol |
| LogP | 1.8708 |
| Topological Polar Surface Area | 169.67 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 513.11633 |
| Heavy Atoms | 36 |
| Complexity | 1558.1421 |
Chemical Identifiers
| CAS Number | 329709-56-0 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)N/N=C/C3=CC(=CC=C3)[N+](=O)[O-])CC(COC4=CC=C(C=C4)Cl)O |
Product Overview
C22H20ClN7O6 (CAS 329709-56-0), with molecular formula C22H20ClN7O6 and molecular weight 513.12 g/mol. IUPAC: 7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-3-methyl-8-[(2E)-2-[(3-nitrophenyl)methylidene]hydrazinyl]purine-2,6-dione.
Chemical Property Profile of C22H20ClN7O6
Property Insights of C22H20ClN7O6
The XLogP value of 1.8708 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C22H20ClN7O6. The TPSA of 169.67 Ų indicates high polarity, suggesting C22H20ClN7O6 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C22H20ClN7O6 has 3 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C22H20ClN7O6?
The CAS number of C22H20ClN7O6 is 329709-56-0.
What is the molecular formula of C22H20ClN7O6?
The molecular formula of C22H20ClN7O6 is C22H20ClN7O6.
What is the molecular weight of C22H20ClN7O6?
The molecular weight of C22H20ClN7O6 is 513.12 g/mol.
Where can I buy C22H20ClN7O6?
You can request a quote for C22H20ClN7O6 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C22H20ClN7O6?
Yes, KEHONG BIO provides custom synthesis services for C22H20ClN7O6 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.