4(1H)-Quinazolinethione, 2,3-dihydro-2,2-dimethyl-3-(phenylmethyl)-
TL;DR: 4(1H)-Quinazolinethione, 2,3-dihydro-2,2-dimethyl-3-(phenylmethyl)- (CAS 63991-68-4) is a chemical compound with molecular formula C17H18N2S and molecular weight 282.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzyl-2,2-dimethyl-1H-quinazoline-4-thione
Also Known As: Benzyloctylmethylamin, 3-benzyl-2,2-dimethyl-1H-quinazoline-4-thione, 4(1H)-Quinazolinethione, 2,3-dihydro-2,2-dimethyl-3-(phenylmethyl)-, 4(1H)-Quinazolinethione, 2,3-dihydro-3-benzyl-2,2-dimethyl-, 3-Benzyl-2,3-dihydro-2,2-dimethyl-4(1H)-quinazolinethione
| Molecular Formula | C17H18N2S |
|---|---|
| Molecular Weight | 282.12 g/mol |
| LogP | 4.0259 |
| Topological Polar Surface Area | 15.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 282.11908 |
| Heavy Atoms | 20 |
| Complexity | 634.44806 |
Chemical Identifiers
| CAS Number | 63991-68-4 |
|---|---|
| SMILES | CC1(NC2=CC=CC=C2C(=S)N1CC3=CC=CC=C3)C |
Product Overview
4(1H)-Quinazolinethione, 2,3-dihydro-2,2-dimethyl-3-(phenylmethyl)- (CAS 63991-68-4), with molecular formula C17H18N2S and molecular weight 282.12 g/mol. IUPAC: 3-benzyl-2,2-dimethyl-1H-quinazoline-4-thione.
Chemical Property Profile of 4(1H)-Quinazolinethione, 2,3-dihydro-2,2-dimethyl-3-(phenylmethyl)-
Property Insights of 4(1H)-Quinazolinethione, 2,3-dihydro-2,2-dimethyl-3-(phenylmethyl)-
The XLogP value of 4.0259 indicates that 4(1H)-Quinazolinethione, 2,3-dihydro-2,2-dimethyl-3-(phenylmethyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 15.27 Ų, 4(1H)-Quinazolinethione, 2,3-dihydro-2,2-dimethyl-3-(phenylmethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4(1H)-Quinazolinethione, 2,3-dihydro-2,2-dimethyl-3-(phenylmethyl)- has 1 hydrogen bond donor(s) and 2 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 4(1H)-Quinazolinethione, 2,3-dihydro-2,2-dimethyl-3-(phenylmethyl)-?
The CAS number of 4(1H)-Quinazolinethione, 2,3-dihydro-2,2-dimethyl-3-(phenylmethyl)- is 63991-68-4.
What is the molecular formula of 4(1H)-Quinazolinethione, 2,3-dihydro-2,2-dimethyl-3-(phenylmethyl)-?
The molecular formula of 4(1H)-Quinazolinethione, 2,3-dihydro-2,2-dimethyl-3-(phenylmethyl)- is C17H18N2S.
What is the molecular weight of 4(1H)-Quinazolinethione, 2,3-dihydro-2,2-dimethyl-3-(phenylmethyl)-?
The molecular weight of 4(1H)-Quinazolinethione, 2,3-dihydro-2,2-dimethyl-3-(phenylmethyl)- is 282.12 g/mol.
Where can I buy 4(1H)-Quinazolinethione, 2,3-dihydro-2,2-dimethyl-3-(phenylmethyl)-?
You can request a quote for 4(1H)-Quinazolinethione, 2,3-dihydro-2,2-dimethyl-3-(phenylmethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4(1H)-Quinazolinethione, 2,3-dihydro-2,2-dimethyl-3-(phenylmethyl)-?
Yes, KEHONG BIO provides custom synthesis services for 4(1H)-Quinazolinethione, 2,3-dihydro-2,2-dimethyl-3-(phenylmethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.