BAS 00553122
TL;DR: BAS 00553122 (CAS 327168-39-8) is a chemical compound with molecular formula C18H22N4O3S and molecular weight 374.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(2-hydroxypropylsulfanyl)-3-methyl-7-(3-phenylpropyl)purine-2,6-dione
Also Known As: BAS 00553122, 8-(2-hydroxypropylsulfanyl)-3-methyl-7-(3-phenylpropyl)purine-2,6-dione, 8-((2-hydroxypropyl)thio)-3-methyl-7-(3-phenylpropyl)-1H-purine-2,6(3H,7H)-dione, 8-[(2-hydroxypropyl)sulfanyl]-3-methyl-7-(3-phenylpropyl)-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C18H22N4O3S |
|---|---|
| Molecular Weight | 374.14 g/mol |
| LogP | 1.529 |
| Topological Polar Surface Area | 92.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 374.14127 |
| Heavy Atoms | 26 |
| Complexity | 1004.9335 |
Chemical Identifiers
| CAS Number | 327168-39-8 |
|---|---|
| SMILES | CC(CSC1=NC2=C(N1CCCC3=CC=CC=C3)C(=O)NC(=O)N2C)O |
Product Overview
BAS 00553122 (CAS 327168-39-8), with molecular formula C18H22N4O3S and molecular weight 374.14 g/mol. IUPAC: 8-(2-hydroxypropylsulfanyl)-3-methyl-7-(3-phenylpropyl)purine-2,6-dione.
Chemical Property Profile of BAS 00553122
Property Insights of BAS 00553122
The XLogP value of 1.529 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00553122. The TPSA of 92.91 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00553122. Following Lipinski's Rule of Five, BAS 00553122 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 00553122?
The CAS number of BAS 00553122 is 327168-39-8.
What is the molecular formula of BAS 00553122?
The molecular formula of BAS 00553122 is C18H22N4O3S.
What is the molecular weight of BAS 00553122?
The molecular weight of BAS 00553122 is 374.14 g/mol.
Where can I buy BAS 00553122?
You can request a quote for BAS 00553122 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00553122?
Yes, KEHONG BIO provides custom synthesis services for BAS 00553122 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.