BAS 00552930
TL;DR: BAS 00552930 (CAS 331751-75-8) is a chemical compound with molecular formula C15H22N4O4S and molecular weight 354.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(3-methyl-2,6-dioxo-7-propylpurin-8-yl)sulfanylbutanoate
Also Known As: BAS 00552930, ethyl 2-[(3-methyl-2,6-dioxo-7-propyl-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]butanoate, ethyl 2-(3-methyl-2,6-dioxo-7-propylpurin-8-yl)sulfanylbutanoate, 2-(3-ME-2,6-DIOXO-7-PR-2,3,6,7-4H-1H-PURIN-8-YLSULFANYL)-BUTYRIC ACID ET ESTER, ethyl 2-((3-methyl-2,6-dioxo-7-propyl-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)butanoate
| Molecular Formula | C15H22N4O4S |
|---|---|
| Molecular Weight | 354.14 g/mol |
| LogP | 1.2671 |
| Topological Polar Surface Area | 98.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 354.13617 |
| Heavy Atoms | 24 |
| Complexity | 851.5017 |
Chemical Identifiers
| CAS Number | 331751-75-8 |
|---|---|
| SMILES | CCCN1C2=C(N=C1SC(CC)C(=O)OCC)N(C(=O)NC2=O)C |
Product Overview
BAS 00552930 (CAS 331751-75-8), with molecular formula C15H22N4O4S and molecular weight 354.14 g/mol. IUPAC: ethyl 2-(3-methyl-2,6-dioxo-7-propylpurin-8-yl)sulfanylbutanoate.
Chemical Property Profile of BAS 00552930
Property Insights of BAS 00552930
The XLogP value of 1.2671 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00552930. The TPSA of 98.98 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00552930. Following Lipinski's Rule of Five, BAS 00552930 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 00552930?
The CAS number of BAS 00552930 is 331751-75-8.
What is the molecular formula of BAS 00552930?
The molecular formula of BAS 00552930 is C15H22N4O4S.
What is the molecular weight of BAS 00552930?
The molecular weight of BAS 00552930 is 354.14 g/mol.
Where can I buy BAS 00552930?
You can request a quote for BAS 00552930 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00552930?
Yes, KEHONG BIO provides custom synthesis services for BAS 00552930 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.