BAS 00316201
TL;DR: BAS 00316201 (CAS 313665-33-7) is a chemical compound with molecular formula C19H22N4O3S and molecular weight 386.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-7-pentyl-8-phenacylsulfanylpurine-2,6-dione
Also Known As: BAS 00316201, 3-methyl-7-pentyl-8-phenacylsulfanylpurine-2,6-dione, 3-methyl-8-[(2-oxo-2-phenylethyl)sulfanyl]-7-pentyl-3,7-dihydro-1H-purine-2,6-dione, 3-Methyl-8-(2-oxo-2-phenyl-ethylsulfanyl)-7-pentyl-3,7-dihydro-purine-2,6-dione, 3-methyl-8-((2-oxo-2-phenylethyl)thio)-7-pentyl-1H-purine-2,6(3H,7H)-dione
| Molecular Formula | C19H22N4O3S |
|---|---|
| Molecular Weight | 386.14 g/mol |
| LogP | 2.5885 |
| Topological Polar Surface Area | 89.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 386.14127 |
| Heavy Atoms | 27 |
| Complexity | 1066.2336 |
Chemical Identifiers
| CAS Number | 313665-33-7 |
|---|---|
| SMILES | CCCCCN1C2=C(N=C1SCC(=O)C3=CC=CC=C3)N(C(=O)NC2=O)C |
Product Overview
BAS 00316201 (CAS 313665-33-7), with molecular formula C19H22N4O3S and molecular weight 386.14 g/mol. IUPAC: 3-methyl-7-pentyl-8-phenacylsulfanylpurine-2,6-dione.
Chemical Property Profile of BAS 00316201
Property Insights of BAS 00316201
The XLogP value of 2.5885 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00316201. The TPSA of 89.75 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00316201. Following Lipinski's Rule of Five, BAS 00316201 has 1 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 00316201?
The CAS number of BAS 00316201 is 313665-33-7.
What is the molecular formula of BAS 00316201?
The molecular formula of BAS 00316201 is C19H22N4O3S.
What is the molecular weight of BAS 00316201?
The molecular weight of BAS 00316201 is 386.14 g/mol.
Where can I buy BAS 00316201?
You can request a quote for BAS 00316201 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00316201?
Yes, KEHONG BIO provides custom synthesis services for BAS 00316201 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.