ChemDiv1_012515
TL;DR: ChemDiv1_012515 (CAS 362501-31-3) is a chemical compound with molecular formula C23H20BrN3O2S2 and molecular weight 513.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-bromophenyl)-2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
Also Known As: ChemDiv1_012515, F0513-0118, 3-(4-bromophenyl)-2-((2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl)thio)-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-one, 3-(4-bromophenyl)-2-{[2-oxo-2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]sulfanyl}-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-4-one, 3-(4-bromophenyl)-2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
| Molecular Formula | C23H20BrN3O2S2 |
|---|---|
| Molecular Weight | 513.02 g/mol |
| LogP | 4.7147 |
| Topological Polar Surface Area | 55.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 513.018 |
| Heavy Atoms | 31 |
| Complexity | 1210.4337 |
Chemical Identifiers
| CAS Number | 362501-31-3 |
|---|---|
| SMILES | C1CC2=CC=CC=C2N(C1)C(=O)CSC3=NC4=C(C(=O)N3C5=CC=C(C=C5)Br)SCC4 |
Product Overview
ChemDiv1_012515 (CAS 362501-31-3), with molecular formula C23H20BrN3O2S2 and molecular weight 513.02 g/mol. IUPAC: 3-(4-bromophenyl)-2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one.
Chemical Property Profile of ChemDiv1_012515
Property Insights of ChemDiv1_012515
The XLogP value of 4.7147 indicates that ChemDiv1_012515 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_012515 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_012515 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_012515?
The CAS number of ChemDiv1_012515 is 362501-31-3.
What is the molecular formula of ChemDiv1_012515?
The molecular formula of ChemDiv1_012515 is C23H20BrN3O2S2.
What is the molecular weight of ChemDiv1_012515?
The molecular weight of ChemDiv1_012515 is 513.02 g/mol.
Where can I buy ChemDiv1_012515?
You can request a quote for ChemDiv1_012515 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_012515?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_012515 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.