3-(1,3-benzodioxol-5-ylmethyl)-7-chloro-2-sulfanylidene-1H-quinazolin-4-one
TL;DR: 3-(1,3-benzodioxol-5-ylmethyl)-7-chloro-2-sulfanylidene-1H-quinazolin-4-one (CAS 451465-76-2) is a chemical compound with molecular formula C16H11ClN2O3S and molecular weight 346.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,3-benzodioxol-5-ylmethyl)-7-chloro-2-sulfanylidene-1H-quinazolin-4-one
Also Known As: F0916-6037, 3-(1,3-benzodioxol-5-ylmethyl)-7-chloro-2-sulfanylidene-1H-quinazolin-4-one, 3-[(2H-1,3-benzodioxol-5-yl)methyl]-7-chloro-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-4-one, 3-(1,3-benzodioxol-5-ylmethyl)-7-chloro-2-thioxo-2,3-dihydroquinazolin-4(1H)-one, 3-(benzo[d][1,3]dioxol-5-ylmethyl)-7-chloro-2-thioxo-2,3-dihydroquinazolin-4(1H)-one
| Molecular Formula | C16H11ClN2O3S |
|---|---|
| Molecular Weight | 346.02 g/mol |
| LogP | 3.48949 |
| Topological Polar Surface Area | 56.25 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 346.01788 |
| Heavy Atoms | 23 |
| Complexity | 1041.6553 |
Chemical Identifiers
| CAS Number | 451465-76-2 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)CN3C(=O)C4=C(C=C(C=C4)Cl)NC3=S |
Product Overview
3-(1,3-benzodioxol-5-ylmethyl)-7-chloro-2-sulfanylidene-1H-quinazolin-4-one (CAS 451465-76-2), with molecular formula C16H11ClN2O3S and molecular weight 346.02 g/mol. IUPAC: 3-(1,3-benzodioxol-5-ylmethyl)-7-chloro-2-sulfanylidene-1H-quinazolin-4-one.
Chemical Property Profile of 3-(1,3-benzodioxol-5-ylmethyl)-7-chloro-2-sulfanylidene-1H-quinazolin-4-one
Property Insights of 3-(1,3-benzodioxol-5-ylmethyl)-7-chloro-2-sulfanylidene-1H-quinazolin-4-one
The XLogP value of 3.48949 indicates that 3-(1,3-benzodioxol-5-ylmethyl)-7-chloro-2-sulfanylidene-1H-quinazolin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.25 Ų, 3-(1,3-benzodioxol-5-ylmethyl)-7-chloro-2-sulfanylidene-1H-quinazolin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(1,3-benzodioxol-5-ylmethyl)-7-chloro-2-sulfanylidene-1H-quinazolin-4-one has 1 hydrogen bond donor(s) and 4 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 3-(1,3-benzodioxol-5-ylmethyl)-7-chloro-2-sulfanylidene-1H-quinazolin-4-one?
The CAS number of 3-(1,3-benzodioxol-5-ylmethyl)-7-chloro-2-sulfanylidene-1H-quinazolin-4-one is 451465-76-2.
What is the molecular formula of 3-(1,3-benzodioxol-5-ylmethyl)-7-chloro-2-sulfanylidene-1H-quinazolin-4-one?
The molecular formula of 3-(1,3-benzodioxol-5-ylmethyl)-7-chloro-2-sulfanylidene-1H-quinazolin-4-one is C16H11ClN2O3S.
What is the molecular weight of 3-(1,3-benzodioxol-5-ylmethyl)-7-chloro-2-sulfanylidene-1H-quinazolin-4-one?
The molecular weight of 3-(1,3-benzodioxol-5-ylmethyl)-7-chloro-2-sulfanylidene-1H-quinazolin-4-one is 346.02 g/mol.
Where can I buy 3-(1,3-benzodioxol-5-ylmethyl)-7-chloro-2-sulfanylidene-1H-quinazolin-4-one?
You can request a quote for 3-(1,3-benzodioxol-5-ylmethyl)-7-chloro-2-sulfanylidene-1H-quinazolin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(1,3-benzodioxol-5-ylmethyl)-7-chloro-2-sulfanylidene-1H-quinazolin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(1,3-benzodioxol-5-ylmethyl)-7-chloro-2-sulfanylidene-1H-quinazolin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.