ChemDiv1_013360
TL;DR: ChemDiv1_013360 (CAS 422281-90-1) 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.
7-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-3-(3-ethoxypropyl)-2-sulfanylidene-1H-quinazolin-4-one
Also Known As: ChemDiv1_013360, 7-(4-(Benzo[d][1,3]dioxol-5-ylmethyl)piperazine-1-carbonyl)-3-(3-ethoxypropyl)-2-thioxo-2,3-dihydroquinazolin-4(1H)-one, 7-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-3-(3-ethoxypropyl)-2-sulfanylidene-1H-quinazolin-4-one, 7-{4-[(2H-1,3-BENZODIOXOL-5-YL)METHYL]PIPERAZINE-1-CARBONYL}-3-(3-ETHOXYPROPYL)-2-SULFANYLIDENE-1,2,3,4-TETRAHYDROQUINAZOLIN-4-ONE
| Molecular Formula | C26H30N4O5S |
|---|---|
| Molecular Weight | 510.19 g/mol |
| LogP | 3.17239 |
| Topological Polar Surface Area | 89.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 510.1937 |
| Heavy Atoms | 36 |
| Complexity | 1376.9877 |
Chemical Identifiers
| CAS Number | 422281-90-1 |
|---|---|
| SMILES | CCOCCCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)NC1=S |
Product Overview
ChemDiv1_013360 (CAS 422281-90-1), with molecular formula C26H30N4O5S and molecular weight 510.19 g/mol. IUPAC: 7-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-3-(3-ethoxypropyl)-2-sulfanylidene-1H-quinazolin-4-one.
Chemical Property Profile of ChemDiv1_013360
Property Insights of ChemDiv1_013360
The XLogP value of 3.17239 indicates that ChemDiv1_013360 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.03 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_013360. Following Lipinski's Rule of Five, ChemDiv1_013360 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_013360?
The CAS number of ChemDiv1_013360 is 422281-90-1.
What is the molecular formula of ChemDiv1_013360?
The molecular formula of ChemDiv1_013360 is C26H30N4O5S.
What is the molecular weight of ChemDiv1_013360?
The molecular weight of ChemDiv1_013360 is 510.19 g/mol.
Where can I buy ChemDiv1_013360?
You can request a quote for ChemDiv1_013360 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_013360?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_013360 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.