BAS 13765498
TL;DR: BAS 13765498 (CAS 887697-02-1) is a chemical compound with molecular formula C22H27N5O4 and molecular weight 425.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,3-dimethyl-2-oxobutyl)-6-(2-methoxy-5-methylphenyl)-4-methyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione
Also Known As: BAS 13765498, VU0510946-1, F3164-0415, 3-(3,3-dimethyl-2-oxobutyl)-8-(2-methoxy-5-methylphenyl)-1-methyl-1H,2H,3H,4H,6H,7H,8H-imidazo[1,2-g]purine-2,4-dione, 2-(3,3-dimethyl-2-oxobutyl)-6-(2-methoxy-5-methylphenyl)-4-methyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione
| Molecular Formula | C22H27N5O4 |
|---|---|
| Molecular Weight | 425.21 g/mol |
| LogP | 1.98062 |
| Topological Polar Surface Area | 91.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 425.2063 |
| Heavy Atoms | 31 |
| Complexity | 1322.8807 |
Chemical Identifiers
| CAS Number | 887697-02-1 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)OC)N2CCN3C2=NC4=C3C(=O)N(C(=O)N4C)CC(=O)C(C)(C)C |
Product Overview
BAS 13765498 (CAS 887697-02-1), with molecular formula C22H27N5O4 and molecular weight 425.21 g/mol. IUPAC: 2-(3,3-dimethyl-2-oxobutyl)-6-(2-methoxy-5-methylphenyl)-4-methyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione.
Chemical Property Profile of BAS 13765498
Property Insights of BAS 13765498
The XLogP value of 1.98062 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 13765498. The TPSA of 91.36 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 13765498. Following Lipinski's Rule of Five, BAS 13765498 has 0 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 13765498?
The CAS number of BAS 13765498 is 887697-02-1.
What is the molecular formula of BAS 13765498?
The molecular formula of BAS 13765498 is C22H27N5O4.
What is the molecular weight of BAS 13765498?
The molecular weight of BAS 13765498 is 425.21 g/mol.
Where can I buy BAS 13765498?
You can request a quote for BAS 13765498 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 13765498?
Yes, KEHONG BIO provides custom synthesis services for BAS 13765498 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.