ChemDiv3_012907
TL;DR: ChemDiv3_012907 (CAS 451467-22-4) is a chemical compound with molecular formula C21H21N3O5S and molecular weight 427.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[7-(furan-2-ylmethylcarbamoyl)-4-oxo-3-prop-2-enylquinazolin-2-yl]sulfanylacetate
Also Known As: ChemDiv3_012907, BRD-K50904034-001-01-5, ethyl 2-[(7-{[(furan-2-yl)methyl]carbamoyl}-4-oxo-3-(prop-2-en-1-yl)-3,4-dihydroquinazolin-2-yl)sulfanyl]acetate, ethyl 2-[7-(furan-2-ylmethylcarbamoyl)-4-oxo-3-prop-2-enylquinazolin-2-yl]sulfanylacetate, ethyl [(3-allyl-7-{[(2-furylmethyl)amino]carbonyl}-4-oxo-3,4-dihydroquinazolin-2-yl)thio]acetate
| Molecular Formula | C21H21N3O5S |
|---|---|
| Molecular Weight | 427.12 g/mol |
| LogP | 2.7607 |
| Topological Polar Surface Area | 103.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 427.12018 |
| Heavy Atoms | 30 |
| Complexity | 1121.6174 |
Chemical Identifiers
| CAS Number | 451467-22-4 |
|---|---|
| SMILES | CCOC(=O)CSC1=NC2=C(C=CC(=C2)C(=O)NCC3=CC=CO3)C(=O)N1CC=C |
Product Overview
ChemDiv3_012907 (CAS 451467-22-4), with molecular formula C21H21N3O5S and molecular weight 427.12 g/mol. IUPAC: ethyl 2-[7-(furan-2-ylmethylcarbamoyl)-4-oxo-3-prop-2-enylquinazolin-2-yl]sulfanylacetate.
Chemical Property Profile of ChemDiv3_012907
Property Insights of ChemDiv3_012907
The XLogP value of 2.7607 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv3_012907. The TPSA of 103.43 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_012907. Following Lipinski's Rule of Five, ChemDiv3_012907 has 1 hydrogen bond donor(s) and 7 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 ChemDiv3_012907?
The CAS number of ChemDiv3_012907 is 451467-22-4.
What is the molecular formula of ChemDiv3_012907?
The molecular formula of ChemDiv3_012907 is C21H21N3O5S.
What is the molecular weight of ChemDiv3_012907?
The molecular weight of ChemDiv3_012907 is 427.12 g/mol.
Where can I buy ChemDiv3_012907?
You can request a quote for ChemDiv3_012907 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_012907?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_012907 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.