BAS 05968915
TL;DR: BAS 05968915 (CAS 476482-33-4) is a chemical compound with molecular formula C21H28N6O3 and molecular weight 412.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-7-[(3-methylphenyl)methyl]-8-(3-morpholin-4-ylpropylamino)purine-2,6-dione
Also Known As: BAS 05968915, 3-methyl-7-(3-methylbenzyl)-8-((3-morpholinopropyl)amino)-1H-purine-2,6(3H,7H)-dione, UPCMLD0ENAT5830015:001, AB01133452-02, F1342-0065
| Molecular Formula | C21H28N6O3 |
|---|---|
| Molecular Weight | 412.22 g/mol |
| LogP | 0.91422 |
| Topological Polar Surface Area | 97.18 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 412.2223 |
| Heavy Atoms | 30 |
| Complexity | 1139.8297 |
Chemical Identifiers
| CAS Number | 476482-33-4 |
|---|---|
| SMILES | CC1=CC(=CC=C1)CN2C3=C(N=C2NCCCN4CCOCC4)N(C(=O)NC3=O)C |
Product Overview
BAS 05968915 (CAS 476482-33-4), with molecular formula C21H28N6O3 and molecular weight 412.22 g/mol. IUPAC: 3-methyl-7-[(3-methylphenyl)methyl]-8-(3-morpholin-4-ylpropylamino)purine-2,6-dione.
Chemical Property Profile of BAS 05968915
Property Insights of BAS 05968915
The XLogP value of 0.91422 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 05968915. The TPSA of 97.18 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 05968915. Following Lipinski's Rule of Five, BAS 05968915 has 2 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 BAS 05968915?
The CAS number of BAS 05968915 is 476482-33-4.
What is the molecular formula of BAS 05968915?
The molecular formula of BAS 05968915 is C21H28N6O3.
What is the molecular weight of BAS 05968915?
The molecular weight of BAS 05968915 is 412.22 g/mol.
Where can I buy BAS 05968915?
You can request a quote for BAS 05968915 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 05968915?
Yes, KEHONG BIO provides custom synthesis services for BAS 05968915 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.