ChemDiv1_013135
TL;DR: ChemDiv1_013135 (CAS 443351-56-2) is a chemical compound with molecular formula C27H24N4O4S and molecular weight 500.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]phenyl]-2-sulfanylidene-1H-quinazolin-4-one
Also Known As: ChemDiv1_013135, F0916-4501, 3-(4-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazine-1-carbonyl)phenyl)-2-thioxo-2,3-dihydroquinazolin-4(1H)-one, 3-(4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}phenyl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-4-one, 3-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]phenyl]-2-sulfanylidene-1H-quinazolin-4-one
| Molecular Formula | C27H24N4O4S |
|---|---|
| Molecular Weight | 500.15 g/mol |
| LogP | 3.73499 |
| Topological Polar Surface Area | 79.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 500.15182 |
| Heavy Atoms | 36 |
| Complexity | 1569.7517 |
Chemical Identifiers
| CAS Number | 443351-56-2 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC=C(C=C4)N5C(=O)C6=CC=CC=C6NC5=S |
Product Overview
ChemDiv1_013135 (CAS 443351-56-2), with molecular formula C27H24N4O4S and molecular weight 500.15 g/mol. IUPAC: 3-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]phenyl]-2-sulfanylidene-1H-quinazolin-4-one.
Chemical Property Profile of ChemDiv1_013135
Property Insights of ChemDiv1_013135
The XLogP value of 3.73499 indicates that ChemDiv1_013135 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.8 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_013135. Following Lipinski's Rule of Five, ChemDiv1_013135 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_013135?
The CAS number of ChemDiv1_013135 is 443351-56-2.
What is the molecular formula of ChemDiv1_013135?
The molecular formula of ChemDiv1_013135 is C27H24N4O4S.
What is the molecular weight of ChemDiv1_013135?
The molecular weight of ChemDiv1_013135 is 500.15 g/mol.
Where can I buy ChemDiv1_013135?
You can request a quote for ChemDiv1_013135 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_013135?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_013135 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.