BAS 00844572
TL;DR: BAS 00844572 (CAS 303973-47-9) is a chemical compound with molecular formula C17H20N4O4S and molecular weight 376.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(2,3-dihydroxypropylsulfanyl)-3-methyl-7-[(3-methylphenyl)methyl]purine-2,6-dione
Also Known As: BAS 00844572, AB01286531-01, 8-[(2,3-dihydroxypropyl)sulfanyl]-3-methyl-7-(3-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione, 8-((2,3-dihydroxypropyl)thio)-3-methyl-7-(3-methylbenzyl)-1H-purine-2,6(3H,7H)-dione, 8-(2,3-dihydroxypropylsulfanyl)-3-methyl-7-[(3-methylphenyl)methyl]purine-2,6-dione
| Molecular Formula | C17H20N4O4S |
|---|---|
| Molecular Weight | 376.12 g/mol |
| LogP | 0.22532 |
| Topological Polar Surface Area | 113.14 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 376.1205 |
| Heavy Atoms | 26 |
| Complexity | 1053.078 |
Chemical Identifiers
| CAS Number | 303973-47-9 |
|---|---|
| SMILES | CC1=CC(=CC=C1)CN2C3=C(N=C2SCC(CO)O)N(C(=O)NC3=O)C |
Product Overview
BAS 00844572 (CAS 303973-47-9), with molecular formula C17H20N4O4S and molecular weight 376.12 g/mol. IUPAC: 8-(2,3-dihydroxypropylsulfanyl)-3-methyl-7-[(3-methylphenyl)methyl]purine-2,6-dione.
Chemical Property Profile of BAS 00844572
Property Insights of BAS 00844572
The XLogP value of 0.22532 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00844572. The TPSA of 113.14 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00844572. Following Lipinski's Rule of Five, BAS 00844572 has 3 hydrogen bond donor(s) and 6 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 00844572?
The CAS number of BAS 00844572 is 303973-47-9.
What is the molecular formula of BAS 00844572?
The molecular formula of BAS 00844572 is C17H20N4O4S.
What is the molecular weight of BAS 00844572?
The molecular weight of BAS 00844572 is 376.12 g/mol.
Where can I buy BAS 00844572?
You can request a quote for BAS 00844572 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00844572?
Yes, KEHONG BIO provides custom synthesis services for BAS 00844572 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.