3-(4-chlorophenyl)-4-imino-3,4-dihydro-2(1H)-quinazolinethione
TL;DR: 3-(4-chlorophenyl)-4-imino-3,4-dihydro-2(1H)-quinazolinethione (CAS 477889-21-7) is a chemical compound with molecular formula C14H10ClN3S and molecular weight 287.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-3-(4-chlorophenyl)quinazoline-2-thione
Also Known As: 4-amino-3-(4-chlorophenyl)quinazoline-2-thione, 3-(4-chlorophenyl)-4-imino-3,4-dihydro-2(1H)-quinazolinethione, 3-(4-chlorophenyl)-4-imino-1,2,3,4-tetrahydroquinazoline-2-thione, 4-amino-3-(4-chlorophenyl)quinazoline-2(3H)-thione
| Molecular Formula | C14H10ClN3S |
|---|---|
| Molecular Weight | 287.03 g/mol |
| LogP | 3.99059 |
| Topological Polar Surface Area | 43.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 287.02838 |
| Heavy Atoms | 19 |
| Complexity | 809.0292 |
Chemical Identifiers
| CAS Number | 477889-21-7 |
|---|---|
| SMILES | C1=CC2=C(N(C(=S)N=C2C=C1)C3=CC=C(C=C3)Cl)N |
Product Overview
3-(4-chlorophenyl)-4-imino-3,4-dihydro-2(1H)-quinazolinethione (CAS 477889-21-7), with molecular formula C14H10ClN3S and molecular weight 287.03 g/mol. IUPAC: 4-amino-3-(4-chlorophenyl)quinazoline-2-thione.
Chemical Property Profile of 3-(4-chlorophenyl)-4-imino-3,4-dihydro-2(1H)-quinazolinethione
Property Insights of 3-(4-chlorophenyl)-4-imino-3,4-dihydro-2(1H)-quinazolinethione
The XLogP value of 3.99059 indicates that 3-(4-chlorophenyl)-4-imino-3,4-dihydro-2(1H)-quinazolinethione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.84 Ų, 3-(4-chlorophenyl)-4-imino-3,4-dihydro-2(1H)-quinazolinethione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-chlorophenyl)-4-imino-3,4-dihydro-2(1H)-quinazolinethione 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-(4-chlorophenyl)-4-imino-3,4-dihydro-2(1H)-quinazolinethione?
The CAS number of 3-(4-chlorophenyl)-4-imino-3,4-dihydro-2(1H)-quinazolinethione is 477889-21-7.
What is the molecular formula of 3-(4-chlorophenyl)-4-imino-3,4-dihydro-2(1H)-quinazolinethione?
The molecular formula of 3-(4-chlorophenyl)-4-imino-3,4-dihydro-2(1H)-quinazolinethione is C14H10ClN3S.
What is the molecular weight of 3-(4-chlorophenyl)-4-imino-3,4-dihydro-2(1H)-quinazolinethione?
The molecular weight of 3-(4-chlorophenyl)-4-imino-3,4-dihydro-2(1H)-quinazolinethione is 287.03 g/mol.
Where can I buy 3-(4-chlorophenyl)-4-imino-3,4-dihydro-2(1H)-quinazolinethione?
You can request a quote for 3-(4-chlorophenyl)-4-imino-3,4-dihydro-2(1H)-quinazolinethione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-chlorophenyl)-4-imino-3,4-dihydro-2(1H)-quinazolinethione?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-chlorophenyl)-4-imino-3,4-dihydro-2(1H)-quinazolinethione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.