BAS 02378806
TL;DR: BAS 02378806 (CAS 335403-19-5) is a chemical compound with molecular formula C20H25N5O3S and molecular weight 415.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-7-[(4-methylphenyl)methyl]-8-(2-morpholin-4-ylethylsulfanyl)purine-2,6-dione
Also Known As: BAS 02378806, 3-methyl-7-(4-methylbenzyl)-8-{[2-(morpholin-4-yl)ethyl]sulfanyl}-3,7-dihydro-1H-purine-2,6-dione, 3-methyl-7-(4-methylbenzyl)-8-((2-morpholinoethyl)thio)-1H-purine-2,6(3H,7H)-dione, 3-methyl-7-[(4-methylphenyl)methyl]-8-(2-morpholin-4-ylethylsulfanyl)purine-2,6-dione, 3,7-Dihydro-3-methyl-7-[(4-methylphenyl)methyl]-8-[[2-(4-morpholinyl)ethyl]thio]-1H-purine-2,6-dione
| Molecular Formula | C20H25N5O3S |
|---|---|
| Molecular Weight | 415.17 g/mol |
| LogP | 1.20432 |
| Topological Polar Surface Area | 85.15 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 415.16782 |
| Heavy Atoms | 29 |
| Complexity | 1110.0776 |
Chemical Identifiers
| CAS Number | 335403-19-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CN2C3=C(N=C2SCCN4CCOCC4)N(C(=O)NC3=O)C |
Product Overview
BAS 02378806 (CAS 335403-19-5), with molecular formula C20H25N5O3S and molecular weight 415.17 g/mol. IUPAC: 3-methyl-7-[(4-methylphenyl)methyl]-8-(2-morpholin-4-ylethylsulfanyl)purine-2,6-dione.
Chemical Property Profile of BAS 02378806
Property Insights of BAS 02378806
The XLogP value of 1.20432 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 02378806. The TPSA of 85.15 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 02378806. Following Lipinski's Rule of Five, BAS 02378806 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 02378806?
The CAS number of BAS 02378806 is 335403-19-5.
What is the molecular formula of BAS 02378806?
The molecular formula of BAS 02378806 is C20H25N5O3S.
What is the molecular weight of BAS 02378806?
The molecular weight of BAS 02378806 is 415.17 g/mol.
Where can I buy BAS 02378806?
You can request a quote for BAS 02378806 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02378806?
Yes, KEHONG BIO provides custom synthesis services for BAS 02378806 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.