3-(2-thienylmethyl)-2-thioxo-2,3-dihydro-4(1H)-quinazolinone
TL;DR: 3-(2-thienylmethyl)-2-thioxo-2,3-dihydro-4(1H)-quinazolinone (CAS 218929-74-9) is a chemical compound with molecular formula C13H10N2OS2 and molecular weight 274.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-sulfanylidene-3-(thiophen-2-ylmethyl)-1H-quinazolin-4-one
Also Known As: US20240366606, Compound C9-8, 3-(2-thienylmethyl)-2-thioxo-2,3-dihydro-4(1H)-quinazolinone, 2-sulfanylidene-3-(thiophen-2-ylmethyl)-1H-quinazolin-4-one, AB00117764-01, 2-sulfanyl-3-(2-thienylmethyl)-3-hydroquinazolin-4-one
| Molecular Formula | C13H10N2OS2 |
|---|---|
| Molecular Weight | 274.02 g/mol |
| LogP | 3.16889 |
| Topological Polar Surface Area | 37.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 274.02347 |
| Heavy Atoms | 18 |
| Complexity | 799.7145 |
Chemical Identifiers
| CAS Number | 218929-74-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(C(=S)N2)CC3=CC=CS3 |
Product Overview
3-(2-thienylmethyl)-2-thioxo-2,3-dihydro-4(1H)-quinazolinone (CAS 218929-74-9), with molecular formula C13H10N2OS2 and molecular weight 274.02 g/mol. IUPAC: 2-sulfanylidene-3-(thiophen-2-ylmethyl)-1H-quinazolin-4-one.
Chemical Property Profile of 3-(2-thienylmethyl)-2-thioxo-2,3-dihydro-4(1H)-quinazolinone
Property Insights of 3-(2-thienylmethyl)-2-thioxo-2,3-dihydro-4(1H)-quinazolinone
The XLogP value of 3.16889 indicates that 3-(2-thienylmethyl)-2-thioxo-2,3-dihydro-4(1H)-quinazolinone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.79 Ų, 3-(2-thienylmethyl)-2-thioxo-2,3-dihydro-4(1H)-quinazolinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2-thienylmethyl)-2-thioxo-2,3-dihydro-4(1H)-quinazolinone has 1 hydrogen bond donor(s) and 3 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-(2-thienylmethyl)-2-thioxo-2,3-dihydro-4(1H)-quinazolinone?
The CAS number of 3-(2-thienylmethyl)-2-thioxo-2,3-dihydro-4(1H)-quinazolinone is 218929-74-9.
What is the molecular formula of 3-(2-thienylmethyl)-2-thioxo-2,3-dihydro-4(1H)-quinazolinone?
The molecular formula of 3-(2-thienylmethyl)-2-thioxo-2,3-dihydro-4(1H)-quinazolinone is C13H10N2OS2.
What is the molecular weight of 3-(2-thienylmethyl)-2-thioxo-2,3-dihydro-4(1H)-quinazolinone?
The molecular weight of 3-(2-thienylmethyl)-2-thioxo-2,3-dihydro-4(1H)-quinazolinone is 274.02 g/mol.
Where can I buy 3-(2-thienylmethyl)-2-thioxo-2,3-dihydro-4(1H)-quinazolinone?
You can request a quote for 3-(2-thienylmethyl)-2-thioxo-2,3-dihydro-4(1H)-quinazolinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-thienylmethyl)-2-thioxo-2,3-dihydro-4(1H)-quinazolinone?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-thienylmethyl)-2-thioxo-2,3-dihydro-4(1H)-quinazolinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.