A4092/0174466
TL;DR: A4092/0174466 (CAS 893765-93-0) is a chemical compound with molecular formula C21H22N2O3S2 and molecular weight 414.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: A4092/0174466, ethyl 2-(4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-(4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-[4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C21H22N2O3S2 |
|---|---|
| Molecular Weight | 414.11 g/mol |
| LogP | 4.443 |
| Topological Polar Surface Area | 61.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 414.10718 |
| Heavy Atoms | 28 |
| Complexity | 1138.9135 |
Chemical Identifiers
| CAS Number | 893765-93-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)N3C=NC4=C(C3=O)C5=C(S4)CCCC5 |
Product Overview
A4092/0174466 (CAS 893765-93-0), with molecular formula C21H22N2O3S2 and molecular weight 414.11 g/mol. IUPAC: ethyl 2-(4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of A4092/0174466
Property Insights of A4092/0174466
The XLogP value of 4.443 indicates that A4092/0174466 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.19 Ų falls within the moderate polarity range, balancing permeability and solubility for A4092/0174466. Following Lipinski's Rule of Five, A4092/0174466 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 A4092/0174466?
The CAS number of A4092/0174466 is 893765-93-0.
What is the molecular formula of A4092/0174466?
The molecular formula of A4092/0174466 is C21H22N2O3S2.
What is the molecular weight of A4092/0174466?
The molecular weight of A4092/0174466 is 414.11 g/mol.
Where can I buy A4092/0174466?
You can request a quote for A4092/0174466 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A4092/0174466?
Yes, KEHONG BIO provides custom synthesis services for A4092/0174466 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.