3-Anilino-2-(4-methylphenyl)quinazoline-4-thione
TL;DR: 3-Anilino-2-(4-methylphenyl)quinazoline-4-thione (CAS 53628-22-1) is a chemical compound with molecular formula C21H17N3S and molecular weight 343.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-anilino-2-(4-methylphenyl)quinazoline-4-thione
Also Known As: 3-anilino-2-(4-methylphenyl)quinazoline-4-thione, 3-Anilino-2-(4-methylphenyl)quinazoline-4(3H)-thione, 4(3H)-QUINAZOLINETHIONE,2-(4-METHYLPHENYL)-3-(PHENYLAMINO)-
| Molecular Formula | C21H17N3S |
|---|---|
| Molecular Weight | 343.11 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 59.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 343.11432 |
| Heavy Atoms | 25 |
| Complexity | 503.0 |
Chemical Identifiers
| CAS Number | 53628-22-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=S)N2NC4=CC=CC=C4 |
| InChIKey | UGEIGDWSLMOBGR-UHFFFAOYSA-N |
Product Overview
3-Anilino-2-(4-methylphenyl)quinazoline-4-thione (CAS 53628-22-1), with molecular formula C21H17N3S and molecular weight 343.11 g/mol. IUPAC: 3-anilino-2-(4-methylphenyl)quinazoline-4-thione.
Chemical Property Profile of 3-Anilino-2-(4-methylphenyl)quinazoline-4-thione
Property Insights of 3-Anilino-2-(4-methylphenyl)quinazoline-4-thione
The XLogP value of 5.4 indicates that 3-Anilino-2-(4-methylphenyl)quinazoline-4-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.7 Ų, 3-Anilino-2-(4-methylphenyl)quinazoline-4-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Anilino-2-(4-methylphenyl)quinazoline-4-thione has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-Anilino-2-(4-methylphenyl)quinazoline-4-thione?
The CAS number of 3-Anilino-2-(4-methylphenyl)quinazoline-4-thione is 53628-22-1.
What is the molecular formula of 3-Anilino-2-(4-methylphenyl)quinazoline-4-thione?
The molecular formula of 3-Anilino-2-(4-methylphenyl)quinazoline-4-thione is C21H17N3S.
What is the molecular weight of 3-Anilino-2-(4-methylphenyl)quinazoline-4-thione?
The molecular weight of 3-Anilino-2-(4-methylphenyl)quinazoline-4-thione is 343.11 g/mol.
Where can I buy 3-Anilino-2-(4-methylphenyl)quinazoline-4-thione?
You can request a quote for 3-Anilino-2-(4-methylphenyl)quinazoline-4-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Anilino-2-(4-methylphenyl)quinazoline-4-thione?
Yes, KEHONG BIO provides custom synthesis services for 3-Anilino-2-(4-methylphenyl)quinazoline-4-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.