![1-[(2-chlorophenyl)methyl]-3,7-dimethyl-8-(1H-pyrrol-2-ylmethylamino)purine-2,6-dione structure](/static/products/847/847852-65-7.png)
1-[(2-chlorophenyl)methyl]-3,7-dimethyl-8-(1H-pyrrol-2-ylmethylamino)purine-2,6-dione
TL;DR: 1-[(2-chlorophenyl)methyl]-3,7-dimethyl-8-(1H-pyrrol-2-ylmethylamino)purine-2,6-dione (CAS 847852-65-7) is a chemical compound with molecular formula C19H19ClN6O2 and molecular weight 398.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(2-chlorophenyl)methyl]-3,7-dimethyl-8-(1H-pyrrol-2-ylmethylamino)purine-2,6-dione
Also Known As: 1-[(2-chlorophenyl)methyl]-3,7-dimethyl-8-(1H-pyrrol-2-ylmethylamino)purine-2,6-dione, 1-(2-chlorobenzyl)-3,7-dimethyl-8-[(1H-pyrrol-2-ylmethyl)amino]-3,7-dihydro-1H-purine-2,6-dione, 8-(((1H-pyrrol-2-yl)methyl)amino)-1-(2-chlorobenzyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione
| Molecular Formula | C19H19ClN6O2 |
|---|---|
| Molecular Weight | 398.13 g/mol |
| LogP | 2.0756 |
| Topological Polar Surface Area | 89.64 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 398.1258 |
| Heavy Atoms | 28 |
| Complexity | 1266.2991 |
Chemical Identifiers
| CAS Number | 847852-65-7 |
|---|---|
| SMILES | CN1C2=C(N=C1NCC3=CC=CN3)N(C(=O)N(C2=O)CC4=CC=CC=C4Cl)C |
Product Overview
1-[(2-chlorophenyl)methyl]-3,7-dimethyl-8-(1H-pyrrol-2-ylmethylamino)purine-2,6-dione (CAS 847852-65-7), with molecular formula C19H19ClN6O2 and molecular weight 398.13 g/mol. IUPAC: 1-[(2-chlorophenyl)methyl]-3,7-dimethyl-8-(1H-pyrrol-2-ylmethylamino)purine-2,6-dione.
Chemical Property Profile of 1-[(2-chlorophenyl)methyl]-3,7-dimethyl-8-(1H-pyrrol-2-ylmethylamino)purine-2,6-dione
Property Insights of 1-[(2-chlorophenyl)methyl]-3,7-dimethyl-8-(1H-pyrrol-2-ylmethylamino)purine-2,6-dione
The XLogP value of 2.0756 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[(2-chlorophenyl)methyl]-3,7-dimethyl-8-(1H-pyrrol-2-ylmethylamino)purine-2,6-dione. The TPSA of 89.64 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[(2-chlorophenyl)methyl]-3,7-dimethyl-8-(1H-pyrrol-2-ylmethylamino)purine-2,6-dione. Following Lipinski's Rule of Five, 1-[(2-chlorophenyl)methyl]-3,7-dimethyl-8-(1H-pyrrol-2-ylmethylamino)purine-2,6-dione has 2 hydrogen bond donor(s) and 4 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 1-[(2-chlorophenyl)methyl]-3,7-dimethyl-8-(1H-pyrrol-2-ylmethylamino)purine-2,6-dione?
The CAS number of 1-[(2-chlorophenyl)methyl]-3,7-dimethyl-8-(1H-pyrrol-2-ylmethylamino)purine-2,6-dione is 847852-65-7.
What is the molecular formula of 1-[(2-chlorophenyl)methyl]-3,7-dimethyl-8-(1H-pyrrol-2-ylmethylamino)purine-2,6-dione?
The molecular formula of 1-[(2-chlorophenyl)methyl]-3,7-dimethyl-8-(1H-pyrrol-2-ylmethylamino)purine-2,6-dione is C19H19ClN6O2.
What is the molecular weight of 1-[(2-chlorophenyl)methyl]-3,7-dimethyl-8-(1H-pyrrol-2-ylmethylamino)purine-2,6-dione?
The molecular weight of 1-[(2-chlorophenyl)methyl]-3,7-dimethyl-8-(1H-pyrrol-2-ylmethylamino)purine-2,6-dione is 398.13 g/mol.
Where can I buy 1-[(2-chlorophenyl)methyl]-3,7-dimethyl-8-(1H-pyrrol-2-ylmethylamino)purine-2,6-dione?
You can request a quote for 1-[(2-chlorophenyl)methyl]-3,7-dimethyl-8-(1H-pyrrol-2-ylmethylamino)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 1-[(2-chlorophenyl)methyl]-3,7-dimethyl-8-(1H-pyrrol-2-ylmethylamino)purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 1-[(2-chlorophenyl)methyl]-3,7-dimethyl-8-(1H-pyrrol-2-ylmethylamino)purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.