BAS 00512116
TL;DR: BAS 00512116 (CAS 330179-73-2) is a chemical compound with molecular formula C25H44N4O3S and molecular weight 480.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-hexadecyl-8-(2-hydroxypropylsulfanyl)-3-methylpurine-2,6-dione
Also Known As: BAS 00512116, 7-hexadecyl-8-[(2-hydroxypropyl)sulfanyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione, 7-hexadecyl-8-(2-hydroxypropylsulfanyl)-3-methylpurine-2,6-dione, 7-Hexadecyl-8-(2-hydroxy-propylsulfanyl)-3-methyl-3,7-dihydro-purine-2,6-dione, 7-hexadecyl-8-((2-hydroxypropyl)thio)-3-methyl-1H-purine-2,6(3H,7H)-dione
| Molecular Formula | C25H44N4O3S |
|---|---|
| Molecular Weight | 480.31 g/mol |
| LogP | 5.3775 |
| Topological Polar Surface Area | 92.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 18 |
| Exact Mass | 480.31342 |
| Heavy Atoms | 33 |
| Complexity | 932.1006 |
Chemical Identifiers
| CAS Number | 330179-73-2 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCN1C2=C(N=C1SCC(C)O)N(C(=O)NC2=O)C |
Product Overview
BAS 00512116 (CAS 330179-73-2), with molecular formula C25H44N4O3S and molecular weight 480.31 g/mol. IUPAC: 7-hexadecyl-8-(2-hydroxypropylsulfanyl)-3-methylpurine-2,6-dione.
Chemical Property Profile of BAS 00512116
Property Insights of BAS 00512116
The XLogP value of 5.3775 indicates that BAS 00512116 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.91 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00512116. Following Lipinski's Rule of Five, BAS 00512116 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00512116?
The CAS number of BAS 00512116 is 330179-73-2.
What is the molecular formula of BAS 00512116?
The molecular formula of BAS 00512116 is C25H44N4O3S.
What is the molecular weight of BAS 00512116?
The molecular weight of BAS 00512116 is 480.31 g/mol.
Where can I buy BAS 00512116?
You can request a quote for BAS 00512116 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00512116?
Yes, KEHONG BIO provides custom synthesis services for BAS 00512116 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.