BAS 00553126
TL;DR: BAS 00553126 (CAS 353777-17-0) is a chemical compound with molecular formula C18H20N4O2S and molecular weight 356.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-7-(3-phenylpropyl)-8-prop-2-enylsulfanylpurine-2,6-dione
Also Known As: BAS 00553126, UPCMLD0ENAT5730991:001, 3-methyl-7-(3-phenylpropyl)-8-prop-2-enylsulfanylpurine-2,6-dione, 3-methyl-7-(3-phenylpropyl)-8-(prop-2-en-1-ylsulfanyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 8-(allylthio)-3-methyl-7-(3-phenylpropyl)-1H-purine-2,6(3H,7H)-dione
| Molecular Formula | C18H20N4O2S |
|---|---|
| Molecular Weight | 356.13 g/mol |
| LogP | 2.3342 |
| Topological Polar Surface Area | 72.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 356.1307 |
| Heavy Atoms | 25 |
| Complexity | 1001.57336 |
Chemical Identifiers
| CAS Number | 353777-17-0 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)SCC=C)CCCC3=CC=CC=C3 |
Product Overview
BAS 00553126 (CAS 353777-17-0), with molecular formula C18H20N4O2S and molecular weight 356.13 g/mol. IUPAC: 3-methyl-7-(3-phenylpropyl)-8-prop-2-enylsulfanylpurine-2,6-dione.
Chemical Property Profile of BAS 00553126
Property Insights of BAS 00553126
The XLogP value of 2.3342 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00553126. The TPSA of 72.68 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00553126. Following Lipinski's Rule of Five, BAS 00553126 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 00553126?
The CAS number of BAS 00553126 is 353777-17-0.
What is the molecular formula of BAS 00553126?
The molecular formula of BAS 00553126 is C18H20N4O2S.
What is the molecular weight of BAS 00553126?
The molecular weight of BAS 00553126 is 356.13 g/mol.
Where can I buy BAS 00553126?
You can request a quote for BAS 00553126 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00553126?
Yes, KEHONG BIO provides custom synthesis services for BAS 00553126 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.