![2-{3-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-4-methoxyphenyl}-3-propyl-2,3-dihydroquinazolin-4(1H)-one structure](/static/products/404/404934-10-7.png)
2-{3-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-4-methoxyphenyl}-3-propyl-2,3-dihydroquinazolin-4(1H)-one
TL;DR: 2-{3-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-4-methoxyphenyl}-3-propyl-2,3-dihydroquinazolin-4(1H)-one (CAS 404934-10-7) is a chemical compound with molecular formula C26H25N3O2S2 and molecular weight 475.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-methoxyphenyl]-3-propyl-1,2-dihydroquinazolin-4-one
Also Known As: 2-{3-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-4-methoxyphenyl}-3-propyl-2,3-dihydroquinazolin-4(1H)-one, 2-(3-((benzo[d]thiazol-2-ylthio)methyl)-4-methoxyphenyl)-3-propyl-2,3-dihydroquinazolin-4(1H)-one, 2-[3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-methoxyphenyl]-3-propyl-1,2-dihydroquinazolin-4-one, 2-[3-(benzothiazol-2-ylsulfanylmethyl)-4-methoxy-phenyl]-3-propyl-1,2-dihydroquinazolin-4-one, 2-{3-[(1,3-BENZOTHIAZOL-2-YLSULFANYL)METHYL]-4-METHOXYPHENYL}-3-PROPYL-1,2,3,4-TETRAHYDROQUINAZOLIN-4-ONE
| Molecular Formula | C26H25N3O2S2 |
|---|---|
| Molecular Weight | 475.14 g/mol |
| LogP | 6.5737 |
| Topological Polar Surface Area | 54.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 475.13882 |
| Heavy Atoms | 33 |
| Complexity | 1270.6965 |
Chemical Identifiers
| CAS Number | 404934-10-7 |
|---|---|
| SMILES | CCCN1C(NC2=CC=CC=C2C1=O)C3=CC(=C(C=C3)OC)CSC4=NC5=CC=CC=C5S4 |
Product Overview
2-{3-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-4-methoxyphenyl}-3-propyl-2,3-dihydroquinazolin-4(1H)-one (CAS 404934-10-7), with molecular formula C26H25N3O2S2 and molecular weight 475.14 g/mol. IUPAC: 2-[3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-methoxyphenyl]-3-propyl-1,2-dihydroquinazolin-4-one.
Chemical Property Profile of 2-{3-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-4-methoxyphenyl}-3-propyl-2,3-dihydroquinazolin-4(1H)-one
Property Insights of 2-{3-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-4-methoxyphenyl}-3-propyl-2,3-dihydroquinazolin-4(1H)-one
The XLogP value of 6.5737 indicates that 2-{3-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-4-methoxyphenyl}-3-propyl-2,3-dihydroquinazolin-4(1H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.46 Ų, 2-{3-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-4-methoxyphenyl}-3-propyl-2,3-dihydroquinazolin-4(1H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-{3-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-4-methoxyphenyl}-3-propyl-2,3-dihydroquinazolin-4(1H)-one 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 2-{3-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-4-methoxyphenyl}-3-propyl-2,3-dihydroquinazolin-4(1H)-one?
The CAS number of 2-{3-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-4-methoxyphenyl}-3-propyl-2,3-dihydroquinazolin-4(1H)-one is 404934-10-7.
What is the molecular formula of 2-{3-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-4-methoxyphenyl}-3-propyl-2,3-dihydroquinazolin-4(1H)-one?
The molecular formula of 2-{3-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-4-methoxyphenyl}-3-propyl-2,3-dihydroquinazolin-4(1H)-one is C26H25N3O2S2.
What is the molecular weight of 2-{3-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-4-methoxyphenyl}-3-propyl-2,3-dihydroquinazolin-4(1H)-one?
The molecular weight of 2-{3-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-4-methoxyphenyl}-3-propyl-2,3-dihydroquinazolin-4(1H)-one is 475.14 g/mol.
Where can I buy 2-{3-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-4-methoxyphenyl}-3-propyl-2,3-dihydroquinazolin-4(1H)-one?
You can request a quote for 2-{3-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-4-methoxyphenyl}-3-propyl-2,3-dihydroquinazolin-4(1H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{3-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-4-methoxyphenyl}-3-propyl-2,3-dihydroquinazolin-4(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-{3-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-4-methoxyphenyl}-3-propyl-2,3-dihydroquinazolin-4(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.