Hexahydro-2,4(1H,3H)-quinazolinedione
TL;DR: Hexahydro-2,4(1H,3H)-quinazolinedione (CAS 6954-99-0) is a chemical compound with molecular formula C8H12N2O2 and molecular weight 168.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4a,5,6,7,8,8a-hexahydro-1H-quinazoline-2,4-dione
Also Known As: Benzoyleneurea, quinazoline-2,4(1H,3H)-dione, 2,4(1H,3H)-Quinazolinedione, Decahydro-2,4-dioxochinazoline, hexahydroquinazoline-2,4(1h,3h)-dione
| Molecular Formula | C8H12N2O2 |
|---|---|
| Molecular Weight | 168.09 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 58.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 168.08987 |
| Heavy Atoms | 12 |
| Complexity | 227.0 |
Chemical Identifiers
| CAS Number | 6954-99-0 |
|---|---|
| SMILES | C1CCC2C(C1)C(=O)NC(=O)N2 |
| InChIKey | RHSYECGMHASHCW-UHFFFAOYSA-N |
Product Overview
Hexahydro-2,4(1H,3H)-quinazolinedione (CAS 6954-99-0), with molecular formula C8H12N2O2 and molecular weight 168.09 g/mol. IUPAC: 4a,5,6,7,8,8a-hexahydro-1H-quinazoline-2,4-dione.
Chemical Property Profile of Hexahydro-2,4(1H,3H)-quinazolinedione
Property Insights of Hexahydro-2,4(1H,3H)-quinazolinedione
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hexahydro-2,4(1H,3H)-quinazolinedione. With a topological polar surface area (TPSA) of 58.2 Ų, Hexahydro-2,4(1H,3H)-quinazolinedione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexahydro-2,4(1H,3H)-quinazolinedione has 2 hydrogen bond donor(s) and 2 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 Hexahydro-2,4(1H,3H)-quinazolinedione?
The CAS number of Hexahydro-2,4(1H,3H)-quinazolinedione is 6954-99-0.
What is the molecular formula of Hexahydro-2,4(1H,3H)-quinazolinedione?
The molecular formula of Hexahydro-2,4(1H,3H)-quinazolinedione is C8H12N2O2.
What is the molecular weight of Hexahydro-2,4(1H,3H)-quinazolinedione?
The molecular weight of Hexahydro-2,4(1H,3H)-quinazolinedione is 168.09 g/mol.
Where can I buy Hexahydro-2,4(1H,3H)-quinazolinedione?
You can request a quote for Hexahydro-2,4(1H,3H)-quinazolinedione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexahydro-2,4(1H,3H)-quinazolinedione?
Yes, KEHONG BIO provides custom synthesis services for Hexahydro-2,4(1H,3H)-quinazolinedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.