ChemDiv3_012951
TL;DR: ChemDiv3_012951 (CAS 451467-31-5) is a chemical compound with molecular formula C23H28N4O4S and molecular weight 456.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-oxo-N-(oxolan-2-ylmethyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-3-prop-2-enylquinazoline-7-carboxamide
Also Known As: ChemDiv3_012951, 3-allyl-4-oxo-2-[(2-oxo-2-pyrrolidin-1-ylethyl)thio]-N-(tetrahydrofuran-2-ylmethyl)-3,4-dihydroquinazoline-7-carboxamide, 4-oxo-2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-N-[(oxolan-2-yl)methyl]-3-(prop-2-en-1-yl)-3,4-dihydroquinazoline-7-carboxamide, 4-oxo-N-(oxolan-2-ylmethyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-3-prop-2-enylquinazoline-7-carboxamide, 3-allyl-4-oxo-2-((2-oxo-2-(pyrrolidin-1-yl)ethyl)thio)-N-((tetrahydrofuran-2-yl)methyl)-3,4-dihydroquinazoline-7-carboxamide
| Molecular Formula | C23H28N4O4S |
|---|---|
| Molecular Weight | 456.18 g/mol |
| LogP | 2.2058 |
| Topological Polar Surface Area | 93.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 456.18314 |
| Heavy Atoms | 32 |
| Complexity | 1071.5862 |
Chemical Identifiers
| CAS Number | 451467-31-5 |
|---|---|
| SMILES | C=CCN1C(=O)C2=C(C=C(C=C2)C(=O)NCC3CCCO3)N=C1SCC(=O)N4CCCC4 |
Product Overview
ChemDiv3_012951 (CAS 451467-31-5), with molecular formula C23H28N4O4S and molecular weight 456.18 g/mol. IUPAC: 4-oxo-N-(oxolan-2-ylmethyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-3-prop-2-enylquinazoline-7-carboxamide.
Chemical Property Profile of ChemDiv3_012951
Property Insights of ChemDiv3_012951
The XLogP value of 2.2058 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv3_012951. The TPSA of 93.53 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_012951. Following Lipinski's Rule of Five, ChemDiv3_012951 has 1 hydrogen bond donor(s) and 6 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_012951?
The CAS number of ChemDiv3_012951 is 451467-31-5.
What is the molecular formula of ChemDiv3_012951?
The molecular formula of ChemDiv3_012951 is C23H28N4O4S.
What is the molecular weight of ChemDiv3_012951?
The molecular weight of ChemDiv3_012951 is 456.18 g/mol.
Where can I buy ChemDiv3_012951?
You can request a quote for ChemDiv3_012951 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_012951?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_012951 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.