C21H28N4O8S
TL;DR: C21H28N4O8S (CAS 474647-93-3) is a chemical compound with molecular formula C21H28N4O8S and molecular weight 496.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-ethylpiperazin-1-yl)-7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine;oxalic acid
Also Known As: 4-(4-ethylpiperazin-1-yl)-7-methyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidine dioxalate, 4-(4-ethylpiperazin-1-yl)-7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine; oxalic acid, 4-(4-ethylpiperazin-1-yl)-7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine;oxalic acid, 4-(4-ethylpiperazinyl)-7-methyl-5,6,7,8-tetrahydrobenzo[b]thiopheno[2,3-d]pyri midine, ethanedioic acid, ethanedioic acid, C21H28N4O8S
| Molecular Formula | C21H28N4O8S |
|---|---|
| Molecular Weight | 496.16 g/mol |
| LogP | 1.2692 |
| Topological Polar Surface Area | 181.46 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 2 |
| Exact Mass | 496.16278 |
| Heavy Atoms | 34 |
| Complexity | 1000.81305 |
Chemical Identifiers
| CAS Number | 474647-93-3 |
|---|---|
| SMILES | CCN1CCN(CC1)C2=C3C4=C(CC(CC4)C)SC3=NC=N2.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O |
Product Overview
C21H28N4O8S (CAS 474647-93-3), with molecular formula C21H28N4O8S and molecular weight 496.16 g/mol. IUPAC: 4-(4-ethylpiperazin-1-yl)-7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine;oxalic acid.
Chemical Property Profile of C21H28N4O8S
Property Insights of C21H28N4O8S
The XLogP value of 1.2692 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C21H28N4O8S. The TPSA of 181.46 Ų indicates high polarity, suggesting C21H28N4O8S may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C21H28N4O8S has 4 hydrogen bond donor(s) and 9 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 C21H28N4O8S?
The CAS number of C21H28N4O8S is 474647-93-3.
What is the molecular formula of C21H28N4O8S?
The molecular formula of C21H28N4O8S is C21H28N4O8S.
What is the molecular weight of C21H28N4O8S?
The molecular weight of C21H28N4O8S is 496.16 g/mol.
Where can I buy C21H28N4O8S?
You can request a quote for C21H28N4O8S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C21H28N4O8S?
Yes, KEHONG BIO provides custom synthesis services for C21H28N4O8S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.