ChemDiv1_008323
TL;DR: ChemDiv1_008323 (CAS 5823-85-8) is a chemical compound with molecular formula C26H25BrN2O4S and molecular weight 540.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[2-(4-bromophenoxy)ethoxy]-3-ethoxyphenyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
Also Known As: ChemDiv1_008323, DivK1c_002963, CDS1_001923, 2-{4-[2-(4-bromophenoxy)ethoxy]-3-ethoxyphenyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one, 2-[4-[2-(4-bromophenoxy)ethoxy]-3-ethoxyphenyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
| Molecular Formula | C26H25BrN2O4S |
|---|---|
| Molecular Weight | 540.07 g/mol |
| LogP | 6.1494 |
| Topological Polar Surface Area | 73.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 540.07184 |
| Heavy Atoms | 34 |
| Complexity | 1363.9811 |
Chemical Identifiers
| CAS Number | 5823-85-8 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)C2=NC3=C(C4=C(S3)CCCC4)C(=O)N2)OCCOC5=CC=C(C=C5)Br |
Product Overview
ChemDiv1_008323 (CAS 5823-85-8), with molecular formula C26H25BrN2O4S and molecular weight 540.07 g/mol. IUPAC: 2-[4-[2-(4-bromophenoxy)ethoxy]-3-ethoxyphenyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one.
Chemical Property Profile of ChemDiv1_008323
Property Insights of ChemDiv1_008323
The XLogP value of 6.1494 indicates that ChemDiv1_008323 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.44 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_008323. Following Lipinski's Rule of Five, ChemDiv1_008323 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_008323?
The CAS number of ChemDiv1_008323 is 5823-85-8.
What is the molecular formula of ChemDiv1_008323?
The molecular formula of ChemDiv1_008323 is C26H25BrN2O4S.
What is the molecular weight of ChemDiv1_008323?
The molecular weight of ChemDiv1_008323 is 540.07 g/mol.
Where can I buy ChemDiv1_008323?
You can request a quote for ChemDiv1_008323 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_008323?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_008323 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.