ChemDiv1_013515
TL;DR: ChemDiv1_013515 (CAS 689227-07-4) is a chemical compound with molecular formula C28H25ClFN3O5S and molecular weight 569.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-chlorophenyl)methyl]-2-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-N-(2-methoxyethyl)-4-oxoquinazoline-7-carboxamide
Also Known As: ChemDiv1_013515, 3-[(4-chlorophenyl)methyl]-2-{[(6-fluoro-2,4-dihydro-1,3-benzodioxin-8-yl)methyl]sulfanyl}-N-(2-methoxyethyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide, F6548-4106, 3-(4-chlorobenzyl)-2-(((6-fluoro-4H-benzo[d][1,3]dioxin-8-yl)methyl)thio)-N-(2-methoxyethyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide, 3-[(4-chlorophenyl)methyl]-2-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-N-(2-methoxyethyl)-4-oxoquinazoline-7-carboxamide
| Molecular Formula | C28H25ClFN3O5S |
|---|---|
| Molecular Weight | 569.12 g/mol |
| LogP | 4.7723 |
| Topological Polar Surface Area | 91.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 569.1188 |
| Heavy Atoms | 39 |
| Complexity | 1578.7559 |
Chemical Identifiers
| CAS Number | 689227-07-4 |
|---|---|
| SMILES | COCCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=CC(=CC4=C3OCOC4)F)CC5=CC=C(C=C5)Cl |
Product Overview
ChemDiv1_013515 (CAS 689227-07-4), with molecular formula C28H25ClFN3O5S and molecular weight 569.12 g/mol. IUPAC: 3-[(4-chlorophenyl)methyl]-2-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-N-(2-methoxyethyl)-4-oxoquinazoline-7-carboxamide.
Chemical Property Profile of ChemDiv1_013515
Property Insights of ChemDiv1_013515
The XLogP value of 4.7723 indicates that ChemDiv1_013515 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.68 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_013515. Following Lipinski's Rule of Five, ChemDiv1_013515 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_013515?
The CAS number of ChemDiv1_013515 is 689227-07-4.
What is the molecular formula of ChemDiv1_013515?
The molecular formula of ChemDiv1_013515 is C28H25ClFN3O5S.
What is the molecular weight of ChemDiv1_013515?
The molecular weight of ChemDiv1_013515 is 569.12 g/mol.
Where can I buy ChemDiv1_013515?
You can request a quote for ChemDiv1_013515 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_013515?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_013515 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.