![methyl 3-[2-(1H-indol-3-yl)ethyl]-4-oxo-2-thioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylate structure](/static/products/4037/403727-67-3.webp)
methyl 3-[2-(1H-indol-3-yl)ethyl]-4-oxo-2-thioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylate
TL;DR: methyl 3-[2-(1H-indol-3-yl)ethyl]-4-oxo-2-thioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylate (CAS 403727-67-3) is a chemical compound with molecular formula C20H17N3O3S and molecular weight 379.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[2-(1H-indol-3-yl)ethyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylate
Also Known As: methyl 3-[2-(1H-indol-3-yl)ethyl]-4-oxo-2-thioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylate, methyl 3-(2-indol-3-ylethyl)-4-oxo-2-thioxo-1,3-dihydroquinazoline-7-carboxyla te, methyl 3-[2-(1H-indol-3-yl)ethyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylate, methyl 3-(2-(1H-indol-3-yl)ethyl)-4-oxo-2-thioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylate, METHYL 3-[2-(1H-INDOL-3-YL)ETHYL]-4-OXO-2-SULFANYLIDENE-1,2,3,4-TETRAHYDROQUINAZOLINE-7-CARBOXYLATE
| Molecular Formula | C20H17N3O3S |
|---|---|
| Molecular Weight | 379.10 g/mol |
| LogP | 3.56969 |
| Topological Polar Surface Area | 79.88 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 379.09906 |
| Heavy Atoms | 27 |
| Complexity | 1283.105 |
Chemical Identifiers
| CAS Number | 403727-67-3 |
|---|---|
| SMILES | COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CCC3=CNC4=CC=CC=C43 |
Product Overview
methyl 3-[2-(1H-indol-3-yl)ethyl]-4-oxo-2-thioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylate (CAS 403727-67-3), with molecular formula C20H17N3O3S and molecular weight 379.10 g/mol. IUPAC: methyl 3-[2-(1H-indol-3-yl)ethyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylate.
Chemical Property Profile of methyl 3-[2-(1H-indol-3-yl)ethyl]-4-oxo-2-thioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Property Insights of methyl 3-[2-(1H-indol-3-yl)ethyl]-4-oxo-2-thioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylate
The XLogP value of 3.56969 indicates that methyl 3-[2-(1H-indol-3-yl)ethyl]-4-oxo-2-thioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.88 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 3-[2-(1H-indol-3-yl)ethyl]-4-oxo-2-thioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylate. Following Lipinski's Rule of Five, methyl 3-[2-(1H-indol-3-yl)ethyl]-4-oxo-2-thioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylate has 2 hydrogen bond donor(s) and 4 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 3-[2-(1H-indol-3-yl)ethyl]-4-oxo-2-thioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylate?
The CAS number of methyl 3-[2-(1H-indol-3-yl)ethyl]-4-oxo-2-thioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylate is 403727-67-3.
What is the molecular formula of methyl 3-[2-(1H-indol-3-yl)ethyl]-4-oxo-2-thioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylate?
The molecular formula of methyl 3-[2-(1H-indol-3-yl)ethyl]-4-oxo-2-thioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylate is C20H17N3O3S.
What is the molecular weight of methyl 3-[2-(1H-indol-3-yl)ethyl]-4-oxo-2-thioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylate?
The molecular weight of methyl 3-[2-(1H-indol-3-yl)ethyl]-4-oxo-2-thioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylate is 379.10 g/mol.
Where can I buy methyl 3-[2-(1H-indol-3-yl)ethyl]-4-oxo-2-thioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylate?
You can request a quote for methyl 3-[2-(1H-indol-3-yl)ethyl]-4-oxo-2-thioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 3-[2-(1H-indol-3-yl)ethyl]-4-oxo-2-thioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 3-[2-(1H-indol-3-yl)ethyl]-4-oxo-2-thioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.