3H-Imidazo(4,5-h)quinazoline-6-thiol
TL;DR: 3H-Imidazo(4,5-h)quinazoline-6-thiol (CAS 53449-50-6) is a chemical compound with molecular formula C9H6N4S and molecular weight 202.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,9-dihydroimidazo[4,5-h]quinazoline-6-thione
Also Known As: 3H-Imidazo(4,5-h)quinazoline-6-thiol, 3H-Imidazo[4,5-h]quinazoline-6-thiol, 1H-imidazo[4,5-h]quinazoline-6(7H)-thione, 3,9-dihydroimidazo[4,5-h]quinazoline-6-thione, 1,7-DIHYDRO-6H-IMIDAZO(4,5-H)QUINAZOLINE-6-THIONE
| Molecular Formula | C9H6N4S |
|---|---|
| Molecular Weight | 202.03 g/mol |
| LogP | 2.16869 |
| Topological Polar Surface Area | 57.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 202.03131 |
| Heavy Atoms | 14 |
| Complexity | 666.9343 |
Chemical Identifiers
| CAS Number | 53449-50-6 |
|---|---|
| SMILES | C1=CC2=C(C3=C1C(=S)N=CN3)N=CN2 |
Product Overview
3H-Imidazo(4,5-h)quinazoline-6-thiol (CAS 53449-50-6), with molecular formula C9H6N4S and molecular weight 202.03 g/mol. IUPAC: 3,9-dihydroimidazo[4,5-h]quinazoline-6-thione.
Chemical Property Profile of 3H-Imidazo(4,5-h)quinazoline-6-thiol
Property Insights of 3H-Imidazo(4,5-h)quinazoline-6-thiol
The XLogP value of 2.16869 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3H-Imidazo(4,5-h)quinazoline-6-thiol. With a topological polar surface area (TPSA) of 57.36 Ų, 3H-Imidazo(4,5-h)quinazoline-6-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3H-Imidazo(4,5-h)quinazoline-6-thiol has 2 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 3H-Imidazo(4,5-h)quinazoline-6-thiol?
The CAS number of 3H-Imidazo(4,5-h)quinazoline-6-thiol is 53449-50-6.
What is the molecular formula of 3H-Imidazo(4,5-h)quinazoline-6-thiol?
The molecular formula of 3H-Imidazo(4,5-h)quinazoline-6-thiol is C9H6N4S.
What is the molecular weight of 3H-Imidazo(4,5-h)quinazoline-6-thiol?
The molecular weight of 3H-Imidazo(4,5-h)quinazoline-6-thiol is 202.03 g/mol.
Where can I buy 3H-Imidazo(4,5-h)quinazoline-6-thiol?
You can request a quote for 3H-Imidazo(4,5-h)quinazoline-6-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3H-Imidazo(4,5-h)quinazoline-6-thiol?
Yes, KEHONG BIO provides custom synthesis services for 3H-Imidazo(4,5-h)quinazoline-6-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.