ChemDiv1_012427
TL;DR: ChemDiv1_012427 (CAS 362501-29-9) is a chemical compound with molecular formula C26H26BrN3O2S2 and molecular weight 555.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]sulfanyl-3-(4-bromophenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
Also Known As: ChemDiv1_012427, F0513-0116, 2-((2-(4-benzylpiperidin-1-yl)-2-oxoethyl)thio)-3-(4-bromophenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-one, 2-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]sulfanyl-3-(4-bromophenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
| Molecular Formula | C26H26BrN3O2S2 |
|---|---|
| Molecular Weight | 555.07 g/mol |
| LogP | 5.2166 |
| Topological Polar Surface Area | 55.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 555.065 |
| Heavy Atoms | 34 |
| Complexity | 1223.2883 |
Chemical Identifiers
| CAS Number | 362501-29-9 |
|---|---|
| SMILES | C1CN(CCC1CC2=CC=CC=C2)C(=O)CSC3=NC4=C(C(=O)N3C5=CC=C(C=C5)Br)SCC4 |
Product Overview
ChemDiv1_012427 (CAS 362501-29-9), with molecular formula C26H26BrN3O2S2 and molecular weight 555.07 g/mol. IUPAC: 2-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]sulfanyl-3-(4-bromophenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one.
Chemical Property Profile of ChemDiv1_012427
Property Insights of ChemDiv1_012427
The XLogP value of 5.2166 indicates that ChemDiv1_012427 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.2 Ų, ChemDiv1_012427 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_012427 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_012427?
The CAS number of ChemDiv1_012427 is 362501-29-9.
What is the molecular formula of ChemDiv1_012427?
The molecular formula of ChemDiv1_012427 is C26H26BrN3O2S2.
What is the molecular weight of ChemDiv1_012427?
The molecular weight of ChemDiv1_012427 is 555.07 g/mol.
Where can I buy ChemDiv1_012427?
You can request a quote for ChemDiv1_012427 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_012427?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_012427 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.