BAS 04914731
TL;DR: BAS 04914731 (CAS 442865-02-3) is a chemical compound with molecular formula C21H27N5O3S and molecular weight 429.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-8-(2-morpholin-4-ylethylsulfanyl)-7-(3-phenylpropyl)purine-2,6-dione
Also Known As: BAS 04914731, UPCMLD0ENAT5829917:001, 3-methyl-8-((2-morpholinoethyl)thio)-7-(3-phenylpropyl)-1H-purine-2,6(3H,7H)-dione, AB00433155-04, AB00433155-10
| Molecular Formula | C21H27N5O3S |
|---|---|
| Molecular Weight | 429.18 g/mol |
| LogP | 1.4804 |
| Topological Polar Surface Area | 85.15 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 429.18347 |
| Heavy Atoms | 30 |
| Complexity | 1099.5127 |
Chemical Identifiers
| CAS Number | 442865-02-3 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)SCCN3CCOCC3)CCCC4=CC=CC=C4 |
Product Overview
BAS 04914731 (CAS 442865-02-3), with molecular formula C21H27N5O3S and molecular weight 429.18 g/mol. IUPAC: 3-methyl-8-(2-morpholin-4-ylethylsulfanyl)-7-(3-phenylpropyl)purine-2,6-dione.
Chemical Property Profile of BAS 04914731
Property Insights of BAS 04914731
The XLogP value of 1.4804 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 04914731. The TPSA of 85.15 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 04914731. Following Lipinski's Rule of Five, BAS 04914731 has 1 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 04914731?
The CAS number of BAS 04914731 is 442865-02-3.
What is the molecular formula of BAS 04914731?
The molecular formula of BAS 04914731 is C21H27N5O3S.
What is the molecular weight of BAS 04914731?
The molecular weight of BAS 04914731 is 429.18 g/mol.
Where can I buy BAS 04914731?
You can request a quote for BAS 04914731 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 04914731?
Yes, KEHONG BIO provides custom synthesis services for BAS 04914731 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.