BAS 02224087
TL;DR: BAS 02224087 (CAS 305865-72-9) is a chemical compound with molecular formula C18H22ClN5O2 and molecular weight 375.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(3-chlorophenyl)methyl]-1,3-dimethyl-8-(2-methylpropylamino)purine-2,6-dione
Also Known As: BAS 02224087, 7-(3-chlorobenzyl)-1,3-dimethyl-8-[(2-methylpropyl)amino]-3,7-dihydro-1H-purine-2,6-dione, 7-(3-Chloro-benzyl)-8-isobutylamino-1,3-dimethyl-3,7-dihydro-purine-2,6-dione, 7-(3-chlorobenzyl)-8-(isobutylamino)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione, 7-[(3-chlorophenyl)methyl]-1,3-dimethyl-8-(2-methylpropylamino)purine-2,6-dione
| Molecular Formula | C18H22ClN5O2 |
|---|---|
| Molecular Weight | 375.15 g/mol |
| LogP | 2.2033 |
| Topological Polar Surface Area | 73.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 375.1462 |
| Heavy Atoms | 26 |
| Complexity | 1077.6006 |
Chemical Identifiers
| CAS Number | 305865-72-9 |
|---|---|
| SMILES | CC(C)CNC1=NC2=C(N1CC3=CC(=CC=C3)Cl)C(=O)N(C(=O)N2C)C |
Product Overview
BAS 02224087 (CAS 305865-72-9), with molecular formula C18H22ClN5O2 and molecular weight 375.15 g/mol. IUPAC: 7-[(3-chlorophenyl)methyl]-1,3-dimethyl-8-(2-methylpropylamino)purine-2,6-dione.
Chemical Property Profile of BAS 02224087
Property Insights of BAS 02224087
The XLogP value of 2.2033 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 02224087. The TPSA of 73.85 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 02224087. Following Lipinski's Rule of Five, BAS 02224087 has 1 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 BAS 02224087?
The CAS number of BAS 02224087 is 305865-72-9.
What is the molecular formula of BAS 02224087?
The molecular formula of BAS 02224087 is C18H22ClN5O2.
What is the molecular weight of BAS 02224087?
The molecular weight of BAS 02224087 is 375.15 g/mol.
Where can I buy BAS 02224087?
You can request a quote for BAS 02224087 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02224087?
Yes, KEHONG BIO provides custom synthesis services for BAS 02224087 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.