BAS 05968866
TL;DR: BAS 05968866 (CAS 672279-36-6) is a chemical compound with molecular formula C17H20ClN5O3 and molecular weight 377.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(2-chlorophenyl)methyl]-8-(3-methoxypropylamino)-3-methylpurine-2,6-dione
Also Known As: BAS 05968866, UPCMLD0ENAT5734760:001, 7-(2-chlorobenzyl)-8-((3-methoxypropyl)amino)-3-methyl-1H-purine-2,6(3H,7H)-dione, F1342-0016, 7-[(2-chlorophenyl)methyl]-8-(3-methoxypropylamino)-3-methylpurine-2,6-dione
| Molecular Formula | C17H20ClN5O3 |
|---|---|
| Molecular Weight | 377.13 g/mol |
| LogP | 1.5734 |
| Topological Polar Surface Area | 93.94 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 377.12546 |
| Heavy Atoms | 26 |
| Complexity | 1037.0349 |
Chemical Identifiers
| CAS Number | 672279-36-6 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)NCCCOC)CC3=CC=CC=C3Cl |
Product Overview
BAS 05968866 (CAS 672279-36-6), with molecular formula C17H20ClN5O3 and molecular weight 377.13 g/mol. IUPAC: 7-[(2-chlorophenyl)methyl]-8-(3-methoxypropylamino)-3-methylpurine-2,6-dione.
Chemical Property Profile of BAS 05968866
Property Insights of BAS 05968866
The XLogP value of 1.5734 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 05968866. The TPSA of 93.94 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 05968866. Following Lipinski's Rule of Five, BAS 05968866 has 2 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 BAS 05968866?
The CAS number of BAS 05968866 is 672279-36-6.
What is the molecular formula of BAS 05968866?
The molecular formula of BAS 05968866 is C17H20ClN5O3.
What is the molecular weight of BAS 05968866?
The molecular weight of BAS 05968866 is 377.13 g/mol.
Where can I buy BAS 05968866?
You can request a quote for BAS 05968866 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 05968866?
Yes, KEHONG BIO provides custom synthesis services for BAS 05968866 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.