ChemDiv2_008089
TL;DR: ChemDiv2_008089 (CAS 451464-22-5) is a chemical compound with molecular formula C23H25N3O4S and molecular weight 439.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-butan-2-yl-2-[3-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
Also Known As: ChemDiv2_008089, IDI1_006804, F0916-4902, N-(butan-2-yl)-2-({3-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanyl)acetamide, N-(sec-butyl)-2-((3-((2,3-dihydrobenzo[b][1,4]dioxin-2-yl)methyl)-4-oxo-3,4-dihydroquinazolin-2-yl)thio)acetamide
| Molecular Formula | C23H25N3O4S |
|---|---|
| Molecular Weight | 439.16 g/mol |
| LogP | 3.2433 |
| Topological Polar Surface Area | 82.45 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 439.1566 |
| Heavy Atoms | 31 |
| Complexity | 1147.1149 |
Chemical Identifiers
| CAS Number | 451464-22-5 |
|---|---|
| SMILES | CCC(C)NC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CC3COC4=CC=CC=C4O3 |
Product Overview
ChemDiv2_008089 (CAS 451464-22-5), with molecular formula C23H25N3O4S and molecular weight 439.16 g/mol. IUPAC: N-butan-2-yl-2-[3-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide.
Chemical Property Profile of ChemDiv2_008089
Property Insights of ChemDiv2_008089
The XLogP value of 3.2433 indicates that ChemDiv2_008089 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.45 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv2_008089. Following Lipinski's Rule of Five, ChemDiv2_008089 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 ChemDiv2_008089?
The CAS number of ChemDiv2_008089 is 451464-22-5.
What is the molecular formula of ChemDiv2_008089?
The molecular formula of ChemDiv2_008089 is C23H25N3O4S.
What is the molecular weight of ChemDiv2_008089?
The molecular weight of ChemDiv2_008089 is 439.16 g/mol.
Where can I buy ChemDiv2_008089?
You can request a quote for ChemDiv2_008089 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_008089?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_008089 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.