BAS 02080938
TL;DR: BAS 02080938 (CAS 377057-03-9) is a chemical compound with molecular formula C12H14N4O4S and molecular weight 310.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-dimethyl-2,6-dioxo-7-prop-2-enylpurin-8-yl)sulfanylacetic acid
Also Known As: BAS 02080938, AB00988235-01, 2-{[1,3-dimethyl-2,6-dioxo-7-(prop-2-en-1-yl)-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}acetic acid, 2-(1,3-dimethyl-2,6-dioxo-7-prop-2-enylpurin-8-yl)sulfanylacetic acid, [(7-allyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio]acetic acid
| Molecular Formula | C12H14N4O4S |
|---|---|
| Molecular Weight | 310.07 g/mol |
| LogP | -0.2036 |
| Topological Polar Surface Area | 99.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 310.07358 |
| Heavy Atoms | 21 |
| Complexity | 845.5302 |
Chemical Identifiers
| CAS Number | 377057-03-9 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCC(=O)O)CC=C |
Product Overview
BAS 02080938 (CAS 377057-03-9), with molecular formula C12H14N4O4S and molecular weight 310.07 g/mol. IUPAC: 2-(1,3-dimethyl-2,6-dioxo-7-prop-2-enylpurin-8-yl)sulfanylacetic acid.
Chemical Property Profile of BAS 02080938
Property Insights of BAS 02080938
The XLogP value of -0.2036 indicates that BAS 02080938 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 99.12 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 02080938. Following Lipinski's Rule of Five, BAS 02080938 has 1 hydrogen bond donor(s) and 5 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 02080938?
The CAS number of BAS 02080938 is 377057-03-9.
What is the molecular formula of BAS 02080938?
The molecular formula of BAS 02080938 is C12H14N4O4S.
What is the molecular weight of BAS 02080938?
The molecular weight of BAS 02080938 is 310.07 g/mol.
Where can I buy BAS 02080938?
You can request a quote for BAS 02080938 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02080938?
Yes, KEHONG BIO provides custom synthesis services for BAS 02080938 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.