BAS 00843975
TL;DR: BAS 00843975 (CAS 303971-14-4) is a chemical compound with molecular formula C16H15N5O5S and molecular weight 389.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-ethyl-3-methyl-8-[2-(4-nitrophenyl)-2-oxoethyl]sulfanylpurine-2,6-dione
Also Known As: BAS 00843975, 7-ethyl-3-methyl-8-((2-(4-nitrophenyl)-2-oxoethyl)thio)-1H-purine-2,6(3H,7H)-dione, AB00684248-01, F0381-4772, 7-ethyl-3-methyl-8-[2-(4-nitrophenyl)-2-oxoethyl]sulfanylpurine-2,6-dione
| Molecular Formula | C16H15N5O5S |
|---|---|
| Molecular Weight | 389.08 g/mol |
| LogP | 1.3264 |
| Topological Polar Surface Area | 132.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 389.07938 |
| Heavy Atoms | 27 |
| Complexity | 1158.8882 |
Chemical Identifiers
| CAS Number | 303971-14-4 |
|---|---|
| SMILES | CCN1C2=C(N=C1SCC(=O)C3=CC=C(C=C3)[N+](=O)[O-])N(C(=O)NC2=O)C |
Product Overview
BAS 00843975 (CAS 303971-14-4), with molecular formula C16H15N5O5S and molecular weight 389.08 g/mol. IUPAC: 7-ethyl-3-methyl-8-[2-(4-nitrophenyl)-2-oxoethyl]sulfanylpurine-2,6-dione.
Chemical Property Profile of BAS 00843975
Property Insights of BAS 00843975
The XLogP value of 1.3264 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00843975. The TPSA of 132.89 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00843975. Following Lipinski's Rule of Five, BAS 00843975 has 1 hydrogen bond donor(s) and 7 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 00843975?
The CAS number of BAS 00843975 is 303971-14-4.
What is the molecular formula of BAS 00843975?
The molecular formula of BAS 00843975 is C16H15N5O5S.
What is the molecular weight of BAS 00843975?
The molecular weight of BAS 00843975 is 389.08 g/mol.
Where can I buy BAS 00843975?
You can request a quote for BAS 00843975 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00843975?
Yes, KEHONG BIO provides custom synthesis services for BAS 00843975 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.