BAS 05968892
TL;DR: BAS 05968892 (CAS 476481-99-9) is a chemical compound with molecular formula C21H25N7O2 and molecular weight 407.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(3-imidazol-1-ylpropylamino)-3-methyl-7-(3-phenylpropyl)purine-2,6-dione
Also Known As: BAS 05968892, UPCMLD0ENAT5734757:001, 8-(3-imidazol-1-ylpropylamino)-3-methyl-7-(3-phenylpropyl)purine-2,6-dione, 8-{[3-(1H-imidazol-1-yl)propyl]amino}-3-methyl-7-(3-phenylpropyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 8-{[3-(1H-imidazol-1-yl)propyl]amino}-3-methyl-7-(3-phenylpropyl)-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C21H25N7O2 |
|---|---|
| Molecular Weight | 407.21 g/mol |
| LogP | 1.7548 |
| Topological Polar Surface Area | 102.53 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 407.20697 |
| Heavy Atoms | 30 |
| Complexity | 1220.2091 |
Chemical Identifiers
| CAS Number | 476481-99-9 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)NCCCN3C=CN=C3)CCCC4=CC=CC=C4 |
Product Overview
BAS 05968892 (CAS 476481-99-9), with molecular formula C21H25N7O2 and molecular weight 407.21 g/mol. IUPAC: 8-(3-imidazol-1-ylpropylamino)-3-methyl-7-(3-phenylpropyl)purine-2,6-dione.
Chemical Property Profile of BAS 05968892
Property Insights of BAS 05968892
The XLogP value of 1.7548 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 05968892. The TPSA of 102.53 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 05968892. Following Lipinski's Rule of Five, BAS 05968892 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 05968892?
The CAS number of BAS 05968892 is 476481-99-9.
What is the molecular formula of BAS 05968892?
The molecular formula of BAS 05968892 is C21H25N7O2.
What is the molecular weight of BAS 05968892?
The molecular weight of BAS 05968892 is 407.21 g/mol.
Where can I buy BAS 05968892?
You can request a quote for BAS 05968892 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 05968892?
Yes, KEHONG BIO provides custom synthesis services for BAS 05968892 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.