(E)-7-(3-(4-chlorophenoxy)-2-hydroxypropyl)-3-methyl-8-(2-(2-oxoindolin-3-ylidene)hydrazinyl)-1H-purine-2,6(3H,7H)-dione
TL;DR: (E)-7-(3-(4-chlorophenoxy)-2-hydroxypropyl)-3-methyl-8-(2-(2-oxoindolin-3-ylidene)hydrazinyl)-1H-purine-2,6(3H,7H)-dione (CAS 329709-58-2) is a chemical compound with molecular formula C23H20ClN7O5 and molecular weight 509.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-8-[(2-hydroxy-1H-indol-3-yl)diazenyl]-3-methylpurine-2,6-dione
Also Known As: (E)-7-(3-(4-chlorophenoxy)-2-hydroxypropyl)-3-methyl-8-(2-(2-oxoindolin-3-ylidene)hydrazinyl)-1H-purine-2,6(3H,7H)-dione, F0381-4729, 7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-3-methyl-8-[(2E)-2-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)hydrazinyl]-3,7-dihydro-1H-purine-2,6-dione, 7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-8-[(2-hydroxy-1H-indol-3-yl)diazenyl]-3-methylpurine-2,6-dione, 7-[3-(4-CHLOROPHENOXY)-2-HYDROXYPROPYL]-3-METHYL-8-[(2Z)-2-(2-OXO-1,2-DIHYDRO-3H-INDOL-3-YLIDENE)HYDRAZINO]-3,7-DIHYDRO-1H-PURINE-2,6-DIONE
| Molecular Formula | C23H20ClN7O5 |
|---|---|
| Molecular Weight | 509.12 g/mol |
| LogP | 3.1189 |
| Topological Polar Surface Area | 162.88 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 509.12143 |
| Heavy Atoms | 36 |
| Complexity | 1715.6018 |
Chemical Identifiers
| CAS Number | 329709-58-2 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)N=NC3=C(NC4=CC=CC=C43)O)CC(COC5=CC=C(C=C5)Cl)O |
Product Overview
(E)-7-(3-(4-chlorophenoxy)-2-hydroxypropyl)-3-methyl-8-(2-(2-oxoindolin-3-ylidene)hydrazinyl)-1H-purine-2,6(3H,7H)-dione (CAS 329709-58-2), with molecular formula C23H20ClN7O5 and molecular weight 509.12 g/mol. IUPAC: 7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-8-[(2-hydroxy-1H-indol-3-yl)diazenyl]-3-methylpurine-2,6-dione.
Chemical Property Profile of (E)-7-(3-(4-chlorophenoxy)-2-hydroxypropyl)-3-methyl-8-(2-(2-oxoindolin-3-ylidene)hydrazinyl)-1H-purine-2,6(3H,7H)-dione
Property Insights of (E)-7-(3-(4-chlorophenoxy)-2-hydroxypropyl)-3-methyl-8-(2-(2-oxoindolin-3-ylidene)hydrazinyl)-1H-purine-2,6(3H,7H)-dione
The XLogP value of 3.1189 indicates that (E)-7-(3-(4-chlorophenoxy)-2-hydroxypropyl)-3-methyl-8-(2-(2-oxoindolin-3-ylidene)hydrazinyl)-1H-purine-2,6(3H,7H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 162.88 Ų indicates high polarity, suggesting (E)-7-(3-(4-chlorophenoxy)-2-hydroxypropyl)-3-methyl-8-(2-(2-oxoindolin-3-ylidene)hydrazinyl)-1H-purine-2,6(3H,7H)-dione may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (E)-7-(3-(4-chlorophenoxy)-2-hydroxypropyl)-3-methyl-8-(2-(2-oxoindolin-3-ylidene)hydrazinyl)-1H-purine-2,6(3H,7H)-dione has 4 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (E)-7-(3-(4-chlorophenoxy)-2-hydroxypropyl)-3-methyl-8-(2-(2-oxoindolin-3-ylidene)hydrazinyl)-1H-purine-2,6(3H,7H)-dione?
The CAS number of (E)-7-(3-(4-chlorophenoxy)-2-hydroxypropyl)-3-methyl-8-(2-(2-oxoindolin-3-ylidene)hydrazinyl)-1H-purine-2,6(3H,7H)-dione is 329709-58-2.
What is the molecular formula of (E)-7-(3-(4-chlorophenoxy)-2-hydroxypropyl)-3-methyl-8-(2-(2-oxoindolin-3-ylidene)hydrazinyl)-1H-purine-2,6(3H,7H)-dione?
The molecular formula of (E)-7-(3-(4-chlorophenoxy)-2-hydroxypropyl)-3-methyl-8-(2-(2-oxoindolin-3-ylidene)hydrazinyl)-1H-purine-2,6(3H,7H)-dione is C23H20ClN7O5.
What is the molecular weight of (E)-7-(3-(4-chlorophenoxy)-2-hydroxypropyl)-3-methyl-8-(2-(2-oxoindolin-3-ylidene)hydrazinyl)-1H-purine-2,6(3H,7H)-dione?
The molecular weight of (E)-7-(3-(4-chlorophenoxy)-2-hydroxypropyl)-3-methyl-8-(2-(2-oxoindolin-3-ylidene)hydrazinyl)-1H-purine-2,6(3H,7H)-dione is 509.12 g/mol.
Where can I buy (E)-7-(3-(4-chlorophenoxy)-2-hydroxypropyl)-3-methyl-8-(2-(2-oxoindolin-3-ylidene)hydrazinyl)-1H-purine-2,6(3H,7H)-dione?
You can request a quote for (E)-7-(3-(4-chlorophenoxy)-2-hydroxypropyl)-3-methyl-8-(2-(2-oxoindolin-3-ylidene)hydrazinyl)-1H-purine-2,6(3H,7H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-7-(3-(4-chlorophenoxy)-2-hydroxypropyl)-3-methyl-8-(2-(2-oxoindolin-3-ylidene)hydrazinyl)-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for (E)-7-(3-(4-chlorophenoxy)-2-hydroxypropyl)-3-methyl-8-(2-(2-oxoindolin-3-ylidene)hydrazinyl)-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.