2-(2-(4-bromophenyl)-4-thioxo-5,6,7,8-tetrahydroquinazolin-1(4H)-yl)acetic acid
TL;DR: 2-(2-(4-bromophenyl)-4-thioxo-5,6,7,8-tetrahydroquinazolin-1(4H)-yl)acetic acid (CAS 620590-18-3) is a chemical compound with molecular formula C16H15BrN2O2S and molecular weight 378.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(4-bromophenyl)-4-sulfanylidene-5,6,7,8-tetrahydroquinazolin-1-yl]acetic acid
Also Known As: ChemDiv3_006318, IDI1_024228, 2-(2-(4-bromophenyl)-4-thioxo-5,6,7,8-tetrahydroquinazolin-1(4H)-yl)acetic acid, F1458-0027, 2-[2-(4-bromophenyl)-4-sulfanylidene-1,4,5,6,7,8-hexahydroquinazolin-1-yl]acetic acid
| Molecular Formula | C16H15BrN2O2S |
|---|---|
| Molecular Weight | 378.00 g/mol |
| LogP | 4.00549 |
| Topological Polar Surface Area | 55.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 378.00375 |
| Heavy Atoms | 22 |
| Complexity | 783.9682 |
Chemical Identifiers
| CAS Number | 620590-18-3 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=S)N=C(N2CC(=O)O)C3=CC=C(C=C3)Br |
Product Overview
2-(2-(4-bromophenyl)-4-thioxo-5,6,7,8-tetrahydroquinazolin-1(4H)-yl)acetic acid (CAS 620590-18-3), with molecular formula C16H15BrN2O2S and molecular weight 378.00 g/mol. IUPAC: 2-[2-(4-bromophenyl)-4-sulfanylidene-5,6,7,8-tetrahydroquinazolin-1-yl]acetic acid.
Chemical Property Profile of 2-(2-(4-bromophenyl)-4-thioxo-5,6,7,8-tetrahydroquinazolin-1(4H)-yl)acetic acid
Property Insights of 2-(2-(4-bromophenyl)-4-thioxo-5,6,7,8-tetrahydroquinazolin-1(4H)-yl)acetic acid
The XLogP value of 4.00549 indicates that 2-(2-(4-bromophenyl)-4-thioxo-5,6,7,8-tetrahydroquinazolin-1(4H)-yl)acetic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.12 Ų, 2-(2-(4-bromophenyl)-4-thioxo-5,6,7,8-tetrahydroquinazolin-1(4H)-yl)acetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2-(4-bromophenyl)-4-thioxo-5,6,7,8-tetrahydroquinazolin-1(4H)-yl)acetic acid has 1 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 2-(2-(4-bromophenyl)-4-thioxo-5,6,7,8-tetrahydroquinazolin-1(4H)-yl)acetic acid?
The CAS number of 2-(2-(4-bromophenyl)-4-thioxo-5,6,7,8-tetrahydroquinazolin-1(4H)-yl)acetic acid is 620590-18-3.
What is the molecular formula of 2-(2-(4-bromophenyl)-4-thioxo-5,6,7,8-tetrahydroquinazolin-1(4H)-yl)acetic acid?
The molecular formula of 2-(2-(4-bromophenyl)-4-thioxo-5,6,7,8-tetrahydroquinazolin-1(4H)-yl)acetic acid is C16H15BrN2O2S.
What is the molecular weight of 2-(2-(4-bromophenyl)-4-thioxo-5,6,7,8-tetrahydroquinazolin-1(4H)-yl)acetic acid?
The molecular weight of 2-(2-(4-bromophenyl)-4-thioxo-5,6,7,8-tetrahydroquinazolin-1(4H)-yl)acetic acid is 378.00 g/mol.
Where can I buy 2-(2-(4-bromophenyl)-4-thioxo-5,6,7,8-tetrahydroquinazolin-1(4H)-yl)acetic acid?
You can request a quote for 2-(2-(4-bromophenyl)-4-thioxo-5,6,7,8-tetrahydroquinazolin-1(4H)-yl)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-(4-bromophenyl)-4-thioxo-5,6,7,8-tetrahydroquinazolin-1(4H)-yl)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-(4-bromophenyl)-4-thioxo-5,6,7,8-tetrahydroquinazolin-1(4H)-yl)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.