ChemDiv2_006005
TL;DR: ChemDiv2_006005 (CAS 852454-59-2) is a chemical compound with molecular formula C20H20ClN3O4S and molecular weight 433.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[7-chloro-2,4-dioxo-3-(thiophen-2-ylmethyl)quinazolin-1-yl]-N-(oxolan-2-ylmethyl)acetamide
Also Known As: ChemDiv2_006005, IDI1_004720, F0920-6003, 2-(7-chloro-2,4-dioxo-3-(thiophen-2-ylmethyl)-3,4-dihydroquinazolin-1(2H)-yl)-N-((tetrahydrofuran-2-yl)methyl)acetamide, 2-[7-chloro-2,4-dioxo-3-(thiophen-2-ylmethyl)quinazolin-1-yl]-N-(oxolan-2-ylmethyl)acetamide
| Molecular Formula | C20H20ClN3O4S |
|---|---|
| Molecular Weight | 433.09 g/mol |
| LogP | 2.2216 |
| Topological Polar Surface Area | 82.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 433.0863 |
| Heavy Atoms | 29 |
| Complexity | 1146.978 |
Chemical Identifiers
| CAS Number | 852454-59-2 |
|---|---|
| SMILES | C1CC(OC1)CNC(=O)CN2C3=C(C=CC(=C3)Cl)C(=O)N(C2=O)CC4=CC=CS4 |
Product Overview
ChemDiv2_006005 (CAS 852454-59-2), with molecular formula C20H20ClN3O4S and molecular weight 433.09 g/mol. IUPAC: 2-[7-chloro-2,4-dioxo-3-(thiophen-2-ylmethyl)quinazolin-1-yl]-N-(oxolan-2-ylmethyl)acetamide.
Chemical Property Profile of ChemDiv2_006005
Property Insights of ChemDiv2_006005
The XLogP value of 2.2216 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv2_006005. The TPSA of 82.33 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv2_006005. Following Lipinski's Rule of Five, ChemDiv2_006005 has 1 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 ChemDiv2_006005?
The CAS number of ChemDiv2_006005 is 852454-59-2.
What is the molecular formula of ChemDiv2_006005?
The molecular formula of ChemDiv2_006005 is C20H20ClN3O4S.
What is the molecular weight of ChemDiv2_006005?
The molecular weight of ChemDiv2_006005 is 433.09 g/mol.
Where can I buy ChemDiv2_006005?
You can request a quote for ChemDiv2_006005 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_006005?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_006005 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.