ethyl 6-(2-phenyl-4-thioxo-5,6,7,8-tetrahydroquinazolin-1(4H)-yl)hexanoate
TL;DR: ethyl 6-(2-phenyl-4-thioxo-5,6,7,8-tetrahydroquinazolin-1(4H)-yl)hexanoate (CAS 862185-98-6) is a chemical compound with molecular formula C22H28N2O2S and molecular weight 384.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-(2-phenyl-4-sulfanylidene-5,6,7,8-tetrahydroquinazolin-1-yl)hexanoate
Also Known As: ethyl 6-(2-phenyl-4-thioxo-5,6,7,8-tetrahydroquinazolin-1(4H)-yl)hexanoate, ethyl 6-(2-phenyl-4-sulfanylidene-5,6,7,8-tetrahydroquinazolin-1-yl)hexanoate
| Molecular Formula | C22H28N2O2S |
|---|---|
| Molecular Weight | 384.19 g/mol |
| LogP | 5.28189 |
| Topological Polar Surface Area | 44.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 384.18716 |
| Heavy Atoms | 27 |
| Complexity | 830.1967 |
Chemical Identifiers
| CAS Number | 862185-98-6 |
|---|---|
| SMILES | CCOC(=O)CCCCCN1C2=C(CCCC2)C(=S)N=C1C3=CC=CC=C3 |
Product Overview
ethyl 6-(2-phenyl-4-thioxo-5,6,7,8-tetrahydroquinazolin-1(4H)-yl)hexanoate (CAS 862185-98-6), with molecular formula C22H28N2O2S and molecular weight 384.19 g/mol. IUPAC: ethyl 6-(2-phenyl-4-sulfanylidene-5,6,7,8-tetrahydroquinazolin-1-yl)hexanoate.
Chemical Property Profile of ethyl 6-(2-phenyl-4-thioxo-5,6,7,8-tetrahydroquinazolin-1(4H)-yl)hexanoate
Property Insights of ethyl 6-(2-phenyl-4-thioxo-5,6,7,8-tetrahydroquinazolin-1(4H)-yl)hexanoate
The XLogP value of 5.28189 indicates that ethyl 6-(2-phenyl-4-thioxo-5,6,7,8-tetrahydroquinazolin-1(4H)-yl)hexanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.12 Ų, ethyl 6-(2-phenyl-4-thioxo-5,6,7,8-tetrahydroquinazolin-1(4H)-yl)hexanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 6-(2-phenyl-4-thioxo-5,6,7,8-tetrahydroquinazolin-1(4H)-yl)hexanoate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ethyl 6-(2-phenyl-4-thioxo-5,6,7,8-tetrahydroquinazolin-1(4H)-yl)hexanoate?
The CAS number of ethyl 6-(2-phenyl-4-thioxo-5,6,7,8-tetrahydroquinazolin-1(4H)-yl)hexanoate is 862185-98-6.
What is the molecular formula of ethyl 6-(2-phenyl-4-thioxo-5,6,7,8-tetrahydroquinazolin-1(4H)-yl)hexanoate?
The molecular formula of ethyl 6-(2-phenyl-4-thioxo-5,6,7,8-tetrahydroquinazolin-1(4H)-yl)hexanoate is C22H28N2O2S.
What is the molecular weight of ethyl 6-(2-phenyl-4-thioxo-5,6,7,8-tetrahydroquinazolin-1(4H)-yl)hexanoate?
The molecular weight of ethyl 6-(2-phenyl-4-thioxo-5,6,7,8-tetrahydroquinazolin-1(4H)-yl)hexanoate is 384.19 g/mol.
Where can I buy ethyl 6-(2-phenyl-4-thioxo-5,6,7,8-tetrahydroquinazolin-1(4H)-yl)hexanoate?
You can request a quote for ethyl 6-(2-phenyl-4-thioxo-5,6,7,8-tetrahydroquinazolin-1(4H)-yl)hexanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 6-(2-phenyl-4-thioxo-5,6,7,8-tetrahydroquinazolin-1(4H)-yl)hexanoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 6-(2-phenyl-4-thioxo-5,6,7,8-tetrahydroquinazolin-1(4H)-yl)hexanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.