BAS 01107453
TL;DR: BAS 01107453 (CAS 303970-41-4) is a chemical compound with molecular formula C27H26N4O4S and molecular weight 502.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(2-hydroxy-3-naphthalen-1-yloxypropyl)-3-methyl-8-[(4-methylphenyl)methylsulfanyl]purine-2,6-dione
Also Known As: BAS 01107453, 7-[2-hydroxy-3-(naphthalen-1-yloxy)propyl]-3-methyl-8-[(4-methylbenzyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione, 7-(2-hydroxy-3-(naphthalen-1-yloxy)propyl)-3-methyl-8-((4-methylbenzyl)thio)-1H-purine-2,6(3H,7H)-dione, 7-(2-hydroxy-3-naphthalen-1-yloxypropyl)-3-methyl-8-[(4-methylphenyl)methylsulfanyl]purine-2,6-dione, 7-(2-hydroxy-3-naphthyloxypropyl)-3-methyl-8-[(4-methylphenyl)methylthio]-1,3, 7-trihydropurine-2,6-dione
| Molecular Formula | C27H26N4O4S |
|---|---|
| Molecular Weight | 502.17 g/mol |
| LogP | 3.61712 |
| Topological Polar Surface Area | 102.14 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 502.16748 |
| Heavy Atoms | 36 |
| Complexity | 1648.0868 |
Chemical Identifiers
| CAS Number | 303970-41-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CSC2=NC3=C(N2CC(COC4=CC=CC5=CC=CC=C54)O)C(=O)NC(=O)N3C |
Product Overview
BAS 01107453 (CAS 303970-41-4), with molecular formula C27H26N4O4S and molecular weight 502.17 g/mol. IUPAC: 7-(2-hydroxy-3-naphthalen-1-yloxypropyl)-3-methyl-8-[(4-methylphenyl)methylsulfanyl]purine-2,6-dione.
Chemical Property Profile of BAS 01107453
Property Insights of BAS 01107453
The XLogP value of 3.61712 indicates that BAS 01107453 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.14 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01107453. Following Lipinski's Rule of Five, BAS 01107453 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 01107453?
The CAS number of BAS 01107453 is 303970-41-4.
What is the molecular formula of BAS 01107453?
The molecular formula of BAS 01107453 is C27H26N4O4S.
What is the molecular weight of BAS 01107453?
The molecular weight of BAS 01107453 is 502.17 g/mol.
Where can I buy BAS 01107453?
You can request a quote for BAS 01107453 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01107453?
Yes, KEHONG BIO provides custom synthesis services for BAS 01107453 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.