ChemDiv1_014173
TL;DR: ChemDiv1_014173 (CAS 913505-75-6) is a chemical compound with molecular formula C26H31N5O3S and molecular weight 493.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-[4-(oxolan-2-ylmethylamino)quinazolin-2-yl]sulfanylethanone
Also Known As: ChemDiv1_014173, F6548-4536, 1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-[(4-{[(oxolan-2-yl)methyl]amino}quinazolin-2-yl)sulfanyl]ethan-1-one, 1-(4-(2-methoxyphenyl)piperazin-1-yl)-2-((4-(((tetrahydrofuran-2-yl)methyl)amino)quinazolin-2-yl)thio)ethanone, 1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-[4-(oxolan-2-ylmethylamino)quinazolin-2-yl]sulfanylethanone
| Molecular Formula | C26H31N5O3S |
|---|---|
| Molecular Weight | 493.21 g/mol |
| LogP | 3.6702 |
| Topological Polar Surface Area | 79.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 493.21475 |
| Heavy Atoms | 35 |
| Complexity | 1162.6874 |
Chemical Identifiers
| CAS Number | 913505-75-6 |
|---|---|
| SMILES | COC1=CC=CC=C1N2CCN(CC2)C(=O)CSC3=NC4=CC=CC=C4C(=N3)NCC5CCCO5 |
Product Overview
ChemDiv1_014173 (CAS 913505-75-6), with molecular formula C26H31N5O3S and molecular weight 493.21 g/mol. IUPAC: 1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-[4-(oxolan-2-ylmethylamino)quinazolin-2-yl]sulfanylethanone.
Chemical Property Profile of ChemDiv1_014173
Property Insights of ChemDiv1_014173
The XLogP value of 3.6702 indicates that ChemDiv1_014173 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.82 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_014173. Following Lipinski's Rule of Five, ChemDiv1_014173 has 1 hydrogen bond donor(s) and 8 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_014173?
The CAS number of ChemDiv1_014173 is 913505-75-6.
What is the molecular formula of ChemDiv1_014173?
The molecular formula of ChemDiv1_014173 is C26H31N5O3S.
What is the molecular weight of ChemDiv1_014173?
The molecular weight of ChemDiv1_014173 is 493.21 g/mol.
Where can I buy ChemDiv1_014173?
You can request a quote for ChemDiv1_014173 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_014173?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_014173 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.