7-(2,4-dichlorobenzyl)-8-((1,4-dihydroxybutan-2-yl)amino)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
TL;DR: 7-(2,4-dichlorobenzyl)-8-((1,4-dihydroxybutan-2-yl)amino)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione (CAS 370074-80-9) is a chemical compound with molecular formula C18H21Cl2N5O4 and molecular weight 441.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(2,4-dichlorophenyl)methyl]-8-(1,4-dihydroxybutan-2-ylamino)-1,3-dimethylpurine-2,6-dione
Also Known As: 7-(2,4-dichlorobenzyl)-8-((1,4-dihydroxybutan-2-yl)amino)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione, 7-[(2,4-dichlorophenyl)methyl]-8-(1,4-dihydroxybutan-2-ylamino)-1,3-dimethyl-purine-2,6-dione, 7-[(2,4-dichlorophenyl)methyl]-8-(1,4-dihydroxybutan-2-ylamino)-1,3-dimethylpurine-2,6-dione
| Molecular Formula | C18H21Cl2N5O4 |
|---|---|
| Molecular Weight | 441.10 g/mol |
| LogP | 0.944 |
| Topological Polar Surface Area | 114.31 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 441.09705 |
| Heavy Atoms | 29 |
| Complexity | 1167.7385 |
Chemical Identifiers
| CAS Number | 370074-80-9 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NC(CCO)CO)CC3=C(C=C(C=C3)Cl)Cl |
Product Overview
7-(2,4-dichlorobenzyl)-8-((1,4-dihydroxybutan-2-yl)amino)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione (CAS 370074-80-9), with molecular formula C18H21Cl2N5O4 and molecular weight 441.10 g/mol. IUPAC: 7-[(2,4-dichlorophenyl)methyl]-8-(1,4-dihydroxybutan-2-ylamino)-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of 7-(2,4-dichlorobenzyl)-8-((1,4-dihydroxybutan-2-yl)amino)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
Property Insights of 7-(2,4-dichlorobenzyl)-8-((1,4-dihydroxybutan-2-yl)amino)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
The XLogP value of 0.944 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-(2,4-dichlorobenzyl)-8-((1,4-dihydroxybutan-2-yl)amino)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione. The TPSA of 114.31 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-(2,4-dichlorobenzyl)-8-((1,4-dihydroxybutan-2-yl)amino)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 7-(2,4-dichlorobenzyl)-8-((1,4-dihydroxybutan-2-yl)amino)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione has 3 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-(2,4-dichlorobenzyl)-8-((1,4-dihydroxybutan-2-yl)amino)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione?
The CAS number of 7-(2,4-dichlorobenzyl)-8-((1,4-dihydroxybutan-2-yl)amino)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione is 370074-80-9.
What is the molecular formula of 7-(2,4-dichlorobenzyl)-8-((1,4-dihydroxybutan-2-yl)amino)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 7-(2,4-dichlorobenzyl)-8-((1,4-dihydroxybutan-2-yl)amino)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione is C18H21Cl2N5O4.
What is the molecular weight of 7-(2,4-dichlorobenzyl)-8-((1,4-dihydroxybutan-2-yl)amino)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 7-(2,4-dichlorobenzyl)-8-((1,4-dihydroxybutan-2-yl)amino)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione is 441.10 g/mol.
Where can I buy 7-(2,4-dichlorobenzyl)-8-((1,4-dihydroxybutan-2-yl)amino)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 7-(2,4-dichlorobenzyl)-8-((1,4-dihydroxybutan-2-yl)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-(2,4-dichlorobenzyl)-8-((1,4-dihydroxybutan-2-yl)amino)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-(2,4-dichlorobenzyl)-8-((1,4-dihydroxybutan-2-yl)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.