3-(2-Mercaptoethyl)quinazoline-2,4(1H,3H)-dione
TL;DR: 3-(2-Mercaptoethyl)quinazoline-2,4(1H,3H)-dione (CAS 138400-06-3) is a chemical compound with molecular formula C10H10N2O2S and molecular weight 222.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-sulfanylethyl)-1H-quinazoline-2,4-dione
Also Known As: MECH, Awd-100-041, 3-(2-Mercaptoethyl)quinazoline-2,4(1H,3H)-dione, 3-(2-sulfanylethyl)-1H-quinazoline-2,4-dione, Awd 100-041
| Molecular Formula | C10H10N2O2S |
|---|---|
| Molecular Weight | 222.05 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 50.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 222.0463 |
| Heavy Atoms | 15 |
| Complexity | 283.0 |
Chemical Identifiers
| CAS Number | 138400-06-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(C(=O)N2)CCS |
| InChIKey | GRNHLFULJDXJKR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(2-Mercaptoethyl)quinazoline-2,4(1H,3H)-dione (CAS 138400-06-3), with molecular formula C10H10N2O2S and molecular weight 222.05 g/mol. IUPAC: 3-(2-sulfanylethyl)-1H-quinazoline-2,4-dione.
Chemical Property Profile of 3-(2-Mercaptoethyl)quinazoline-2,4(1H,3H)-dione
Property Insights of 3-(2-Mercaptoethyl)quinazoline-2,4(1H,3H)-dione
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-Mercaptoethyl)quinazoline-2,4(1H,3H)-dione. With a topological polar surface area (TPSA) of 50.4 Ų, 3-(2-Mercaptoethyl)quinazoline-2,4(1H,3H)-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2-Mercaptoethyl)quinazoline-2,4(1H,3H)-dione has 2 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 3-(2-Mercaptoethyl)quinazoline-2,4(1H,3H)-dione?
The CAS number of 3-(2-Mercaptoethyl)quinazoline-2,4(1H,3H)-dione is 138400-06-3.
What is the molecular formula of 3-(2-Mercaptoethyl)quinazoline-2,4(1H,3H)-dione?
The molecular formula of 3-(2-Mercaptoethyl)quinazoline-2,4(1H,3H)-dione is C10H10N2O2S.
What is the molecular weight of 3-(2-Mercaptoethyl)quinazoline-2,4(1H,3H)-dione?
The molecular weight of 3-(2-Mercaptoethyl)quinazoline-2,4(1H,3H)-dione is 222.05 g/mol.
Where can I buy 3-(2-Mercaptoethyl)quinazoline-2,4(1H,3H)-dione?
You can request a quote for 3-(2-Mercaptoethyl)quinazoline-2,4(1H,3H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-Mercaptoethyl)quinazoline-2,4(1H,3H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-Mercaptoethyl)quinazoline-2,4(1H,3H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.