ChemDiv2_008032
TL;DR: ChemDiv2_008032 (CAS 896683-46-8) is a chemical compound with molecular formula C26H30N4O5S and molecular weight 510.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(1,3-benzodioxol-5-ylmethyl)-6-morpholin-4-yl-4-oxoquinazolin-2-yl]sulfanyl-N,N-diethylacetamide
Also Known As: ChemDiv2_008032, IDI1_006747, 2-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-6-(morpholin-4-yl)-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanyl)-N,N-diethylacetamide, F6548-4226, 2-((3-(benzo[d][1,3]dioxol-5-ylmethyl)-6-morpholino-4-oxo-3,4-dihydroquinazolin-2-yl)thio)-N,N-diethylacetamide
| Molecular Formula | C26H30N4O5S |
|---|---|
| Molecular Weight | 510.19 g/mol |
| LogP | 2.9706 |
| Topological Polar Surface Area | 86.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 510.1937 |
| Heavy Atoms | 36 |
| Complexity | 1317.6677 |
Chemical Identifiers
| CAS Number | 896683-46-8 |
|---|---|
| SMILES | CCN(CC)C(=O)CSC1=NC2=C(C=C(C=C2)N3CCOCC3)C(=O)N1CC4=CC5=C(C=C4)OCO5 |
Product Overview
ChemDiv2_008032 (CAS 896683-46-8), with molecular formula C26H30N4O5S and molecular weight 510.19 g/mol. IUPAC: 2-[3-(1,3-benzodioxol-5-ylmethyl)-6-morpholin-4-yl-4-oxoquinazolin-2-yl]sulfanyl-N,N-diethylacetamide.
Chemical Property Profile of ChemDiv2_008032
Property Insights of ChemDiv2_008032
The XLogP value of 2.9706 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv2_008032. The TPSA of 86.13 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv2_008032. Following Lipinski's Rule of Five, ChemDiv2_008032 has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv2_008032?
The CAS number of ChemDiv2_008032 is 896683-46-8.
What is the molecular formula of ChemDiv2_008032?
The molecular formula of ChemDiv2_008032 is C26H30N4O5S.
What is the molecular weight of ChemDiv2_008032?
The molecular weight of ChemDiv2_008032 is 510.19 g/mol.
Where can I buy ChemDiv2_008032?
You can request a quote for ChemDiv2_008032 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_008032?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_008032 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.