![7-[(2-chloro-5-methoxyphenyl)methyl]-8-(3-hydroxypropylamino)-1,3-dimethylpurine-2,6-dione structure](/static/products/573/573694-33-4.png)
7-[(2-chloro-5-methoxyphenyl)methyl]-8-(3-hydroxypropylamino)-1,3-dimethylpurine-2,6-dione
TL;DR: 7-[(2-chloro-5-methoxyphenyl)methyl]-8-(3-hydroxypropylamino)-1,3-dimethylpurine-2,6-dione (CAS 573694-33-4) 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-(3-hydroxypropylamino)-1,3-dimethylpurine-2,6-dione
Also Known As: 7-[(2-chloro-5-methoxyphenyl)methyl]-8-(3-hydroxypropylamino)-1,3-dimethylpurine-2,6-dione, 7-(2-chloro-5-methoxy-benzyl)-8-(3-hydroxypropylamino)-1,3-dimethyl-xanthine, 7-(2-chloro-5-methoxybenzyl)-8-((3-hydroxypropyl)amino)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione, 7-(2-chloro-5-methoxybenzyl)-8-[(3-hydroxypropyl)amino]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione, 7-[(2-chloranyl-5-methoxy-phenyl)methyl]-1,3-dimethyl-8-(3-oxidanylpropylamino)purine-2,6-dione
| Molecular Formula | C18H22ClN5O4 |
|---|---|
| Molecular Weight | 407.14 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 99.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 407.13602 |
| Heavy Atoms | 28 |
| Complexity | 582.0 |
Chemical Identifiers
| CAS Number | 573694-33-4 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCCCO)CC3=C(C=CC(=C3)OC)Cl |
| InChIKey | WKZWTBJUIXXYDH-UHFFFAOYSA-N |
Product Overview
7-[(2-chloro-5-methoxyphenyl)methyl]-8-(3-hydroxypropylamino)-1,3-dimethylpurine-2,6-dione (CAS 573694-33-4), with molecular formula C18H22ClN5O4 and molecular weight 407.14 g/mol. IUPAC: 7-[(2-chloro-5-methoxyphenyl)methyl]-8-(3-hydroxypropylamino)-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of 7-[(2-chloro-5-methoxyphenyl)methyl]-8-(3-hydroxypropylamino)-1,3-dimethylpurine-2,6-dione
Property Insights of 7-[(2-chloro-5-methoxyphenyl)methyl]-8-(3-hydroxypropylamino)-1,3-dimethylpurine-2,6-dione
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-[(2-chloro-5-methoxyphenyl)methyl]-8-(3-hydroxypropylamino)-1,3-dimethylpurine-2,6-dione. The TPSA of 99.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-[(2-chloro-5-methoxyphenyl)methyl]-8-(3-hydroxypropylamino)-1,3-dimethylpurine-2,6-dione. Following Lipinski's Rule of Five, 7-[(2-chloro-5-methoxyphenyl)methyl]-8-(3-hydroxypropylamino)-1,3-dimethylpurine-2,6-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-methoxyphenyl)methyl]-8-(3-hydroxypropylamino)-1,3-dimethylpurine-2,6-dione?
The CAS number of 7-[(2-chloro-5-methoxyphenyl)methyl]-8-(3-hydroxypropylamino)-1,3-dimethylpurine-2,6-dione is 573694-33-4.
What is the molecular formula of 7-[(2-chloro-5-methoxyphenyl)methyl]-8-(3-hydroxypropylamino)-1,3-dimethylpurine-2,6-dione?
The molecular formula of 7-[(2-chloro-5-methoxyphenyl)methyl]-8-(3-hydroxypropylamino)-1,3-dimethylpurine-2,6-dione is C18H22ClN5O4.
What is the molecular weight of 7-[(2-chloro-5-methoxyphenyl)methyl]-8-(3-hydroxypropylamino)-1,3-dimethylpurine-2,6-dione?
The molecular weight of 7-[(2-chloro-5-methoxyphenyl)methyl]-8-(3-hydroxypropylamino)-1,3-dimethylpurine-2,6-dione is 407.14 g/mol.
Where can I buy 7-[(2-chloro-5-methoxyphenyl)methyl]-8-(3-hydroxypropylamino)-1,3-dimethylpurine-2,6-dione?
You can request a quote for 7-[(2-chloro-5-methoxyphenyl)methyl]-8-(3-hydroxypropylamino)-1,3-dimethylpurine-2,6-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-methoxyphenyl)methyl]-8-(3-hydroxypropylamino)-1,3-dimethylpurine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-[(2-chloro-5-methoxyphenyl)methyl]-8-(3-hydroxypropylamino)-1,3-dimethylpurine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.