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Methyl 2-{[2-(3-methylphenyl)-5,6,7,8-tetrahydroquinazolin-4-YL]sulfanyl}acetate
TL;DR: Methyl 2-{[2-(3-methylphenyl)-5,6,7,8-tetrahydroquinazolin-4-YL]sulfanyl}acetate (CAS 694460-85-0) is a chemical compound with molecular formula C18H20N2O2S and molecular weight 328.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[2-(3-methylphenyl)-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]acetate
Also Known As: CBKinase1_003907, CBKinase1_016307, BAS 06195474, BRD-K84713212-001-01-4, METHYL 2-{[2-(3-METHYLPHENYL)-5,6,7,8-TETRAHYDROQUINAZOLIN-4-YL]SULFANYL}ACETATE
| Molecular Formula | C18H20N2O2S |
|---|---|
| Molecular Weight | 328.12 g/mol |
| LogP | 3.59592 |
| Topological Polar Surface Area | 52.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 328.12454 |
| Heavy Atoms | 23 |
| Complexity | 730.95667 |
Chemical Identifiers
| CAS Number | 694460-85-0 |
|---|---|
| SMILES | CC1=CC(=CC=C1)C2=NC3=C(CCCC3)C(=N2)SCC(=O)OC |
Product Overview
Methyl 2-{[2-(3-methylphenyl)-5,6,7,8-tetrahydroquinazolin-4-YL]sulfanyl}acetate (CAS 694460-85-0), with molecular formula C18H20N2O2S and molecular weight 328.12 g/mol. IUPAC: methyl 2-[[2-(3-methylphenyl)-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]acetate.
Chemical Property Profile of Methyl 2-{[2-(3-methylphenyl)-5,6,7,8-tetrahydroquinazolin-4-YL]sulfanyl}acetate
Property Insights of Methyl 2-{[2-(3-methylphenyl)-5,6,7,8-tetrahydroquinazolin-4-YL]sulfanyl}acetate
The XLogP value of 3.59592 indicates that Methyl 2-{[2-(3-methylphenyl)-5,6,7,8-tetrahydroquinazolin-4-YL]sulfanyl}acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.08 Ų, Methyl 2-{[2-(3-methylphenyl)-5,6,7,8-tetrahydroquinazolin-4-YL]sulfanyl}acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-{[2-(3-methylphenyl)-5,6,7,8-tetrahydroquinazolin-4-YL]sulfanyl}acetate has 0 hydrogen bond donor(s) and 5 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 Methyl 2-{[2-(3-methylphenyl)-5,6,7,8-tetrahydroquinazolin-4-YL]sulfanyl}acetate?
The CAS number of Methyl 2-{[2-(3-methylphenyl)-5,6,7,8-tetrahydroquinazolin-4-YL]sulfanyl}acetate is 694460-85-0.
What is the molecular formula of Methyl 2-{[2-(3-methylphenyl)-5,6,7,8-tetrahydroquinazolin-4-YL]sulfanyl}acetate?
The molecular formula of Methyl 2-{[2-(3-methylphenyl)-5,6,7,8-tetrahydroquinazolin-4-YL]sulfanyl}acetate is C18H20N2O2S.
What is the molecular weight of Methyl 2-{[2-(3-methylphenyl)-5,6,7,8-tetrahydroquinazolin-4-YL]sulfanyl}acetate?
The molecular weight of Methyl 2-{[2-(3-methylphenyl)-5,6,7,8-tetrahydroquinazolin-4-YL]sulfanyl}acetate is 328.12 g/mol.
Where can I buy Methyl 2-{[2-(3-methylphenyl)-5,6,7,8-tetrahydroquinazolin-4-YL]sulfanyl}acetate?
You can request a quote for Methyl 2-{[2-(3-methylphenyl)-5,6,7,8-tetrahydroquinazolin-4-YL]sulfanyl}acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-{[2-(3-methylphenyl)-5,6,7,8-tetrahydroquinazolin-4-YL]sulfanyl}acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-{[2-(3-methylphenyl)-5,6,7,8-tetrahydroquinazolin-4-YL]sulfanyl}acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.