BAS 03058563
TL;DR: BAS 03058563 (CAS 377064-63-6) is a chemical compound with molecular formula C17H17FN4O2S and molecular weight 360.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[(4-fluorophenyl)methylsulfanyl]-1,3-dimethyl-7-prop-2-enylpurine-2,6-dione
Also Known As: BAS 03058563, UPCMLD0ENAT5732420:001, 8-{[(4-fluorophenyl)methyl]sulfanyl}-1,3-dimethyl-7-(prop-2-en-1-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 8-[(4-fluorophenyl)methylsulfanyl]-1,3-dimethyl-7-prop-2-enylpurine-2,6-dione, 7-allyl-8-((4-fluorobenzyl)thio)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
| Molecular Formula | C17H17FN4O2S |
|---|---|
| Molecular Weight | 360.11 g/mol |
| LogP | 2.0511 |
| Topological Polar Surface Area | 61.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 360.10562 |
| Heavy Atoms | 25 |
| Complexity | 1063.417 |
Chemical Identifiers
| CAS Number | 377064-63-6 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCC3=CC=C(C=C3)F)CC=C |
Product Overview
BAS 03058563 (CAS 377064-63-6), with molecular formula C17H17FN4O2S and molecular weight 360.11 g/mol. IUPAC: 8-[(4-fluorophenyl)methylsulfanyl]-1,3-dimethyl-7-prop-2-enylpurine-2,6-dione.
Chemical Property Profile of BAS 03058563
Property Insights of BAS 03058563
The XLogP value of 2.0511 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 03058563. The TPSA of 61.82 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 03058563. Following Lipinski's Rule of Five, BAS 03058563 has 0 hydrogen bond donor(s) and 4 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 03058563?
The CAS number of BAS 03058563 is 377064-63-6.
What is the molecular formula of BAS 03058563?
The molecular formula of BAS 03058563 is C17H17FN4O2S.
What is the molecular weight of BAS 03058563?
The molecular weight of BAS 03058563 is 360.11 g/mol.
Where can I buy BAS 03058563?
You can request a quote for BAS 03058563 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 03058563?
Yes, KEHONG BIO provides custom synthesis services for BAS 03058563 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.