BAS 00620127
TL;DR: BAS 00620127 (CAS 331841-68-0) is a chemical compound with molecular formula C22H22N4O2S and molecular weight 406.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-benzyl-3-methyl-8-(3-phenylpropylsulfanyl)purine-2,6-dione
Also Known As: BAS 00620127, AB01288608-01, 7-benzyl-3-methyl-8-[(3-phenylpropyl)sulfanyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 7-benzyl-3-methyl-8-(3-phenylpropylsulfanyl)purine-2,6-dione, 7-benzyl-3-methyl-8-[(3-phenylpropyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C22H22N4O2S |
|---|---|
| Molecular Weight | 406.15 g/mol |
| LogP | 3.1965 |
| Topological Polar Surface Area | 72.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 406.14636 |
| Heavy Atoms | 29 |
| Complexity | 1226.8899 |
Chemical Identifiers
| CAS Number | 331841-68-0 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)SCCCC3=CC=CC=C3)CC4=CC=CC=C4 |
Product Overview
BAS 00620127 (CAS 331841-68-0), with molecular formula C22H22N4O2S and molecular weight 406.15 g/mol. IUPAC: 7-benzyl-3-methyl-8-(3-phenylpropylsulfanyl)purine-2,6-dione.
Chemical Property Profile of BAS 00620127
Property Insights of BAS 00620127
The XLogP value of 3.1965 indicates that BAS 00620127 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.68 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00620127. Following Lipinski's Rule of Five, BAS 00620127 has 1 hydrogen bond donor(s) and 4 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 00620127?
The CAS number of BAS 00620127 is 331841-68-0.
What is the molecular formula of BAS 00620127?
The molecular formula of BAS 00620127 is C22H22N4O2S.
What is the molecular weight of BAS 00620127?
The molecular weight of BAS 00620127 is 406.15 g/mol.
Where can I buy BAS 00620127?
You can request a quote for BAS 00620127 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00620127?
Yes, KEHONG BIO provides custom synthesis services for BAS 00620127 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.