7-(2-Chloro-benzyl)-1,3-dimethyl-8-morpholin-4-yl-3,7-dihydro-purine-2,6-dione
TL;DR: 7-(2-Chloro-benzyl)-1,3-dimethyl-8-morpholin-4-yl-3,7-dihydro-purine-2,6-dione (CAS 317844-17-0) is a chemical compound with molecular formula C18H20ClN5O3 and molecular weight 389.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-morpholin-4-ylpurine-2,6-dione
Also Known As: BAS 01547221, UPCMLD0ENAT5730920:001, 7-(2-Chloro-benzyl)-1,3-dimethyl-8-morpholin-4-yl-3,7-dihydro-purine-2,6-dione, 7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-morpholin-4-ylpurine-2,6-dione, 7-(2-chlorobenzyl)-1,3-dimethyl-8-(morpholin-4-yl)-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C18H20ClN5O3 |
|---|---|
| Molecular Weight | 389.13 g/mol |
| LogP | 0.972 |
| Topological Polar Surface Area | 74.29 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 389.12546 |
| Heavy Atoms | 27 |
| Complexity | 1124.4531 |
Chemical Identifiers
| CAS Number | 317844-17-0 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCOCC3)CC4=CC=CC=C4Cl |
Product Overview
7-(2-Chloro-benzyl)-1,3-dimethyl-8-morpholin-4-yl-3,7-dihydro-purine-2,6-dione (CAS 317844-17-0), with molecular formula C18H20ClN5O3 and molecular weight 389.13 g/mol. IUPAC: 7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-morpholin-4-ylpurine-2,6-dione.
Chemical Property Profile of 7-(2-Chloro-benzyl)-1,3-dimethyl-8-morpholin-4-yl-3,7-dihydro-purine-2,6-dione
Property Insights of 7-(2-Chloro-benzyl)-1,3-dimethyl-8-morpholin-4-yl-3,7-dihydro-purine-2,6-dione
The XLogP value of 0.972 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-(2-Chloro-benzyl)-1,3-dimethyl-8-morpholin-4-yl-3,7-dihydro-purine-2,6-dione. The TPSA of 74.29 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-(2-Chloro-benzyl)-1,3-dimethyl-8-morpholin-4-yl-3,7-dihydro-purine-2,6-dione. Following Lipinski's Rule of Five, 7-(2-Chloro-benzyl)-1,3-dimethyl-8-morpholin-4-yl-3,7-dihydro-purine-2,6-dione has 0 hydrogen bond donor(s) and 5 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-benzyl)-1,3-dimethyl-8-morpholin-4-yl-3,7-dihydro-purine-2,6-dione?
The CAS number of 7-(2-Chloro-benzyl)-1,3-dimethyl-8-morpholin-4-yl-3,7-dihydro-purine-2,6-dione is 317844-17-0.
What is the molecular formula of 7-(2-Chloro-benzyl)-1,3-dimethyl-8-morpholin-4-yl-3,7-dihydro-purine-2,6-dione?
The molecular formula of 7-(2-Chloro-benzyl)-1,3-dimethyl-8-morpholin-4-yl-3,7-dihydro-purine-2,6-dione is C18H20ClN5O3.
What is the molecular weight of 7-(2-Chloro-benzyl)-1,3-dimethyl-8-morpholin-4-yl-3,7-dihydro-purine-2,6-dione?
The molecular weight of 7-(2-Chloro-benzyl)-1,3-dimethyl-8-morpholin-4-yl-3,7-dihydro-purine-2,6-dione is 389.13 g/mol.
Where can I buy 7-(2-Chloro-benzyl)-1,3-dimethyl-8-morpholin-4-yl-3,7-dihydro-purine-2,6-dione?
You can request a quote for 7-(2-Chloro-benzyl)-1,3-dimethyl-8-morpholin-4-yl-3,7-dihydro-purine-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-benzyl)-1,3-dimethyl-8-morpholin-4-yl-3,7-dihydro-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-(2-Chloro-benzyl)-1,3-dimethyl-8-morpholin-4-yl-3,7-dihydro-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.