BAS 00619067
TL;DR: BAS 00619067 (CAS 313470-86-9) is a chemical compound with molecular formula C21H26N4O4S and molecular weight 430.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pentyl 2-[3-methyl-2,6-dioxo-7-(2-phenylethyl)purin-8-yl]sulfanylacetate
Also Known As: BAS 00619067, AB00397037-05, F0381-4644, pentyl 2-((3-methyl-2,6-dioxo-7-phenethyl-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)acetate, (3-Methyl-2,6-dioxo-7-phenethyl-2,3,6,7-tetrahydro-1H-purin-8-ylsulfanyl)-acetic acid pentyl ester
| Molecular Formula | C21H26N4O4S |
|---|---|
| Molecular Weight | 430.17 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 119.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 430.16748 |
| Heavy Atoms | 30 |
| Complexity | 614.0 |
Chemical Identifiers
| CAS Number | 313470-86-9 |
|---|---|
| SMILES | CCCCCOC(=O)CSC1=NC2=C(N1CCC3=CC=CC=C3)C(=O)NC(=O)N2C |
| InChIKey | DTXZVZNHPCTSJR-UHFFFAOYSA-N |
Product Overview
BAS 00619067 (CAS 313470-86-9), with molecular formula C21H26N4O4S and molecular weight 430.17 g/mol. IUPAC: pentyl 2-[3-methyl-2,6-dioxo-7-(2-phenylethyl)purin-8-yl]sulfanylacetate.
Chemical Property Profile of BAS 00619067
Property Insights of BAS 00619067
The XLogP value of 3.8 indicates that BAS 00619067 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00619067. Following Lipinski's Rule of Five, BAS 00619067 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 00619067?
The CAS number of BAS 00619067 is 313470-86-9.
What is the molecular formula of BAS 00619067?
The molecular formula of BAS 00619067 is C21H26N4O4S.
What is the molecular weight of BAS 00619067?
The molecular weight of BAS 00619067 is 430.17 g/mol.
Where can I buy BAS 00619067?
You can request a quote for BAS 00619067 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00619067?
Yes, KEHONG BIO provides custom synthesis services for BAS 00619067 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.