CAS 1216744-20-5 - C25H22N2O3S2
TL;DR: CAS 1216744-20-5 - C25H22N2O3S2 (CAS 1216744-20-5) is a chemical compound with molecular formula C25H22N2O3S2 and molecular weight 462.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 2-[[4-oxo-5-(5,6,7,8-tetrahydronaphthalen-2-yl)-3H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl]acetate
Also Known As: Phenylmethyl 2-[[1,4-dihydro-4-oxo-5-(5,6,7,8-tetrahydro-2-naphthalenyl)thieno[2,3-d]pyrimidin-2-yl]thio]acetate
| Molecular Formula | C25H22N2O3S2 |
|---|---|
| Molecular Weight | 462.11 g/mol |
| LogP | 5.3659 |
| Topological Polar Surface Area | 72.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 462.10718 |
| Heavy Atoms | 32 |
| Complexity | 1328.2772 |
Chemical Identifiers
| CAS Number | 1216744-20-5 |
|---|---|
| SMILES | C1CCC2=C(C1)C=CC(=C2)C3=CSC4=C3C(=O)NC(=N4)SCC(=O)OCC5=CC=CC=C5 |
Product Overview
CAS 1216744-20-5 - C25H22N2O3S2 (CAS 1216744-20-5), with molecular formula C25H22N2O3S2 and molecular weight 462.11 g/mol. IUPAC: benzyl 2-[[4-oxo-5-(5,6,7,8-tetrahydronaphthalen-2-yl)-3H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl]acetate.
Chemical Property Profile of CAS 1216744-20-5 - C25H22N2O3S2
Property Insights of CAS 1216744-20-5 - C25H22N2O3S2
The XLogP value of 5.3659 indicates that CAS 1216744-20-5 - C25H22N2O3S2 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.05 Ų falls within the moderate polarity range, balancing permeability and solubility for CAS 1216744-20-5 - C25H22N2O3S2. Following Lipinski's Rule of Five, CAS 1216744-20-5 - C25H22N2O3S2 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 CAS 1216744-20-5 - C25H22N2O3S2?
The CAS number of CAS 1216744-20-5 - C25H22N2O3S2 is 1216744-20-5.
What is the molecular formula of CAS 1216744-20-5 - C25H22N2O3S2?
The molecular formula of CAS 1216744-20-5 - C25H22N2O3S2 is C25H22N2O3S2.
What is the molecular weight of CAS 1216744-20-5 - C25H22N2O3S2?
The molecular weight of CAS 1216744-20-5 - C25H22N2O3S2 is 462.11 g/mol.
Where can I buy CAS 1216744-20-5 - C25H22N2O3S2?
You can request a quote for CAS 1216744-20-5 - C25H22N2O3S2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CAS 1216744-20-5 - C25H22N2O3S2?
Yes, KEHONG BIO provides custom synthesis services for CAS 1216744-20-5 - C25H22N2O3S2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.