ChemDiv1_012471
TL;DR: ChemDiv1_012471 (CAS 362501-30-2) is a chemical compound with molecular formula C22H18BrN3O2S2 and molecular weight 499.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-bromophenyl)-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
Also Known As: ChemDiv1_012471, F0513-0117, 3-(4-bromophenyl)-2-((2-(indolin-1-yl)-2-oxoethyl)thio)-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-one, 3-(4-bromophenyl)-2-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-4-one, 3-(4-bromophenyl)-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
| Molecular Formula | C22H18BrN3O2S2 |
|---|---|
| Molecular Weight | 499.00 g/mol |
| LogP | 4.3246 |
| Topological Polar Surface Area | 55.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 499.00238 |
| Heavy Atoms | 30 |
| Complexity | 1193.9773 |
Chemical Identifiers
| CAS Number | 362501-30-2 |
|---|---|
| SMILES | C1CN(C2=CC=CC=C21)C(=O)CSC3=NC4=C(C(=O)N3C5=CC=C(C=C5)Br)SCC4 |
Product Overview
ChemDiv1_012471 (CAS 362501-30-2), with molecular formula C22H18BrN3O2S2 and molecular weight 499.00 g/mol. IUPAC: 3-(4-bromophenyl)-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one.
Chemical Property Profile of ChemDiv1_012471
Property Insights of ChemDiv1_012471
The XLogP value of 4.3246 indicates that ChemDiv1_012471 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_012471 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_012471 has 0 hydrogen bond donor(s) and 5 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 ChemDiv1_012471?
The CAS number of ChemDiv1_012471 is 362501-30-2.
What is the molecular formula of ChemDiv1_012471?
The molecular formula of ChemDiv1_012471 is C22H18BrN3O2S2.
What is the molecular weight of ChemDiv1_012471?
The molecular weight of ChemDiv1_012471 is 499.00 g/mol.
Where can I buy ChemDiv1_012471?
You can request a quote for ChemDiv1_012471 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_012471?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_012471 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.