BAS 12401095
TL;DR: BAS 12401095 (CAS 862487-80-7) is a chemical compound with molecular formula C19H21N7O2 and molecular weight 379.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-benzyl-8-(3-imidazol-1-ylpropylamino)-3-methylpurine-2,6-dione
Also Known As: BAS 12401095, 7-benzyl-8-(3-imidazol-1-ylpropylamino)-3-methylpurine-2,6-dione, 8-((3-(1H-imidazol-1-yl)propyl)amino)-7-benzyl-3-methyl-1H-purine-2,6(3H,7H)-dione, 7-Benzyl-8-(3-imidazol-1-yl-propylamino)-3-methyl-3,7-dihydro-purine-2,6-dione, 7-benzyl-6-hydroxy-8-{[3-(1H-imidazol-1-yl)propyl]amino}-3-methyl-3,7-dihydro-2H-purin-2-one
| Molecular Formula | C19H21N7O2 |
|---|---|
| Molecular Weight | 379.18 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 97.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 379.17566 |
| Heavy Atoms | 28 |
| Complexity | 568.0 |
Chemical Identifiers
| CAS Number | 862487-80-7 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)NCCCN3C=CN=C3)CC4=CC=CC=C4 |
| InChIKey | QJTHTJRZOUAPHU-UHFFFAOYSA-N |
Product Overview
BAS 12401095 (CAS 862487-80-7), with molecular formula C19H21N7O2 and molecular weight 379.18 g/mol. IUPAC: 7-benzyl-8-(3-imidazol-1-ylpropylamino)-3-methylpurine-2,6-dione.
Chemical Property Profile of BAS 12401095
Property Insights of BAS 12401095
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 12401095. The TPSA of 97.1 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 12401095. Following Lipinski's Rule of Five, BAS 12401095 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 12401095?
The CAS number of BAS 12401095 is 862487-80-7.
What is the molecular formula of BAS 12401095?
The molecular formula of BAS 12401095 is C19H21N7O2.
What is the molecular weight of BAS 12401095?
The molecular weight of BAS 12401095 is 379.18 g/mol.
Where can I buy BAS 12401095?
You can request a quote for BAS 12401095 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 12401095?
Yes, KEHONG BIO provides custom synthesis services for BAS 12401095 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.