BAS 02080943
TL;DR: BAS 02080943 (CAS 378207-02-4) is a chemical compound with molecular formula C19H20N4O4S and molecular weight 400.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 2-(1,3-dimethyl-2,6-dioxo-7-prop-2-enylpurin-8-yl)sulfanylacetate
Also Known As: BAS 02080943, UPCMLD0ENAT5733407:001, (7-Allyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-ylsulfanyl)-acetic acid benzyl ester, benzyl 2-(1,3-dimethyl-2,6-dioxo-7-prop-2-enylpurin-8-yl)sulfanylacetate, benzyl 2-((7-allyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)acetate
| Molecular Formula | C19H20N4O4S |
|---|---|
| Molecular Weight | 400.12 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 400.1205 |
| Heavy Atoms | 28 |
| Complexity | 625.0 |
Chemical Identifiers
| CAS Number | 378207-02-4 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCC(=O)OCC3=CC=CC=C3)CC=C |
| InChIKey | GCCYDDSBAZSGKS-UHFFFAOYSA-N |
Product Overview
BAS 02080943 (CAS 378207-02-4), with molecular formula C19H20N4O4S and molecular weight 400.12 g/mol. IUPAC: benzyl 2-(1,3-dimethyl-2,6-dioxo-7-prop-2-enylpurin-8-yl)sulfanylacetate.
Chemical Property Profile of BAS 02080943
Property Insights of BAS 02080943
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 02080943. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 02080943. Following Lipinski's Rule of Five, BAS 02080943 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 02080943?
The CAS number of BAS 02080943 is 378207-02-4.
What is the molecular formula of BAS 02080943?
The molecular formula of BAS 02080943 is C19H20N4O4S.
What is the molecular weight of BAS 02080943?
The molecular weight of BAS 02080943 is 400.12 g/mol.
Where can I buy BAS 02080943?
You can request a quote for BAS 02080943 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02080943?
Yes, KEHONG BIO provides custom synthesis services for BAS 02080943 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.