BAS 05968864
TL;DR: BAS 05968864 (CAS 672902-37-3) 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.
1,3-dimethyl-7-[(3-methylphenyl)methyl]-8-(2-morpholin-4-ylethylsulfanyl)purine-2,6-dione
Also Known As: BAS 05968864, UPCMLD0ENAT5731387:001, AB00434180-04, 1,3-dimethyl-7-(3-methylbenzyl)-8-((2-morpholinoethyl)thio)-1H-purine-2,6(3H,7H)-dione, F1342-0014
| Molecular Formula | C21H27N5O3S |
|---|---|
| Molecular Weight | 429.18 g/mol |
| LogP | 1.21472 |
| Topological Polar Surface Area | 74.29 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 429.18347 |
| Heavy Atoms | 30 |
| Complexity | 1173.8242 |
Chemical Identifiers
| CAS Number | 672902-37-3 |
|---|---|
| SMILES | CC1=CC(=CC=C1)CN2C3=C(N=C2SCCN4CCOCC4)N(C(=O)N(C3=O)C)C |
Product Overview
BAS 05968864 (CAS 672902-37-3), with molecular formula C21H27N5O3S and molecular weight 429.18 g/mol. IUPAC: 1,3-dimethyl-7-[(3-methylphenyl)methyl]-8-(2-morpholin-4-ylethylsulfanyl)purine-2,6-dione.
Chemical Property Profile of BAS 05968864
Property Insights of BAS 05968864
The XLogP value of 1.21472 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 05968864. The TPSA of 74.29 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 05968864. Following Lipinski's Rule of Five, BAS 05968864 has 0 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 05968864?
The CAS number of BAS 05968864 is 672902-37-3.
What is the molecular formula of BAS 05968864?
The molecular formula of BAS 05968864 is C21H27N5O3S.
What is the molecular weight of BAS 05968864?
The molecular weight of BAS 05968864 is 429.18 g/mol.
Where can I buy BAS 05968864?
You can request a quote for BAS 05968864 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 05968864?
Yes, KEHONG BIO provides custom synthesis services for BAS 05968864 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.