7-(2-chloro-5-methoxybenzyl)-8-((2-hydroxypropyl)amino)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
TL;DR: 7-(2-chloro-5-methoxybenzyl)-8-((2-hydroxypropyl)amino)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione (CAS 840478-39-9) is a chemical compound with molecular formula C18H22ClN5O4 and molecular weight 407.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(2-chloro-5-methoxyphenyl)methyl]-8-(2-hydroxypropylamino)-1,3-dimethylpurine-2,6-dione
Also Known As: 7-(2-chloro-5-methoxybenzyl)-8-((2-hydroxypropyl)amino)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione, 7-(2-chloro-5-methoxybenzyl)-8-[(2-hydroxypropyl)amino]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione, 7-[(2-chloro-5-methoxyphenyl)methyl]-8-(2-hydroxypropylamino)-1,3-dimethylpurine-2,6-dione, 7-[(2-CHLORO-5-METHOXYPHENYL)METHYL]-8-[(2-HYDROXYPROPYL)AMINO]-1,3-DIMETHYL-2,3,6,7-TETRAHYDRO-1H-PURINE-2,6-DIONE
| Molecular Formula | C18H22ClN5O4 |
|---|---|
| Molecular Weight | 407.14 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 99.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 407.13602 |
| Heavy Atoms | 28 |
| Complexity | 596.0 |
Chemical Identifiers
| CAS Number | 840478-39-9 |
|---|---|
| SMILES | CC(CNC1=NC2=C(N1CC3=C(C=CC(=C3)OC)Cl)C(=O)N(C(=O)N2C)C)O |
| InChIKey | YJXCHOQPWWIXEP-UHFFFAOYSA-N |
Product Overview
7-(2-chloro-5-methoxybenzyl)-8-((2-hydroxypropyl)amino)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione (CAS 840478-39-9), with molecular formula C18H22ClN5O4 and molecular weight 407.14 g/mol. IUPAC: 7-[(2-chloro-5-methoxyphenyl)methyl]-8-(2-hydroxypropylamino)-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of 7-(2-chloro-5-methoxybenzyl)-8-((2-hydroxypropyl)amino)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
Property Insights of 7-(2-chloro-5-methoxybenzyl)-8-((2-hydroxypropyl)amino)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-(2-chloro-5-methoxybenzyl)-8-((2-hydroxypropyl)amino)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione. The TPSA of 99.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-(2-chloro-5-methoxybenzyl)-8-((2-hydroxypropyl)amino)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 7-(2-chloro-5-methoxybenzyl)-8-((2-hydroxypropyl)amino)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione has 2 hydrogen bond donor(s) and 6 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 7-(2-chloro-5-methoxybenzyl)-8-((2-hydroxypropyl)amino)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione?
The CAS number of 7-(2-chloro-5-methoxybenzyl)-8-((2-hydroxypropyl)amino)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione is 840478-39-9.
What is the molecular formula of 7-(2-chloro-5-methoxybenzyl)-8-((2-hydroxypropyl)amino)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 7-(2-chloro-5-methoxybenzyl)-8-((2-hydroxypropyl)amino)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione is C18H22ClN5O4.
What is the molecular weight of 7-(2-chloro-5-methoxybenzyl)-8-((2-hydroxypropyl)amino)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 7-(2-chloro-5-methoxybenzyl)-8-((2-hydroxypropyl)amino)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione is 407.14 g/mol.
Where can I buy 7-(2-chloro-5-methoxybenzyl)-8-((2-hydroxypropyl)amino)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 7-(2-chloro-5-methoxybenzyl)-8-((2-hydroxypropyl)amino)-1,3-dimethyl-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 7-(2-chloro-5-methoxybenzyl)-8-((2-hydroxypropyl)amino)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-(2-chloro-5-methoxybenzyl)-8-((2-hydroxypropyl)amino)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.