7-Chloro-3-(2,3-dimercaptopropyl)-2,4(1H,3H)-quinazolinedione
TL;DR: 7-Chloro-3-(2,3-dimercaptopropyl)-2,4(1H,3H)-quinazolinedione (CAS 618101-98-7) is a chemical compound with molecular formula C11H11ClN2O2S2 and molecular weight 302.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2,3-bis(sulfanyl)propyl]-7-chloro-1H-quinazoline-2,4-dione
Also Known As: 7-Chloro-3-(2,3-dimercaptopropyl)-2,4(1H,3H)-quinazolinedione, 3-(2,3-bis-sulfanylpropyl)-7-chloro-1H-quinazoline-2,4-dione, 3-[2,3-Bis(sulfanyl)propyl]-7-chloroquinazoline-2,4(1H,3H)-dione
| Molecular Formula | C11H11ClN2O2S2 |
|---|---|
| Molecular Weight | 302.00 g/mol |
| LogP | 1.5714 |
| Topological Polar Surface Area | 54.86 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 301.99506 |
| Heavy Atoms | 18 |
| Complexity | 695.48315 |
Chemical Identifiers
| CAS Number | 618101-98-7 |
|---|---|
| SMILES | C1=CC2=C(C=C1Cl)NC(=O)N(C2=O)CC(CS)S |
Product Overview
7-Chloro-3-(2,3-dimercaptopropyl)-2,4(1H,3H)-quinazolinedione (CAS 618101-98-7), with molecular formula C11H11ClN2O2S2 and molecular weight 302.00 g/mol. IUPAC: 3-[2,3-bis(sulfanyl)propyl]-7-chloro-1H-quinazoline-2,4-dione.
Chemical Property Profile of 7-Chloro-3-(2,3-dimercaptopropyl)-2,4(1H,3H)-quinazolinedione
Property Insights of 7-Chloro-3-(2,3-dimercaptopropyl)-2,4(1H,3H)-quinazolinedione
The XLogP value of 1.5714 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Chloro-3-(2,3-dimercaptopropyl)-2,4(1H,3H)-quinazolinedione. With a topological polar surface area (TPSA) of 54.86 Ų, 7-Chloro-3-(2,3-dimercaptopropyl)-2,4(1H,3H)-quinazolinedione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-Chloro-3-(2,3-dimercaptopropyl)-2,4(1H,3H)-quinazolinedione has 3 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 7-Chloro-3-(2,3-dimercaptopropyl)-2,4(1H,3H)-quinazolinedione?
The CAS number of 7-Chloro-3-(2,3-dimercaptopropyl)-2,4(1H,3H)-quinazolinedione is 618101-98-7.
What is the molecular formula of 7-Chloro-3-(2,3-dimercaptopropyl)-2,4(1H,3H)-quinazolinedione?
The molecular formula of 7-Chloro-3-(2,3-dimercaptopropyl)-2,4(1H,3H)-quinazolinedione is C11H11ClN2O2S2.
What is the molecular weight of 7-Chloro-3-(2,3-dimercaptopropyl)-2,4(1H,3H)-quinazolinedione?
The molecular weight of 7-Chloro-3-(2,3-dimercaptopropyl)-2,4(1H,3H)-quinazolinedione is 302.00 g/mol.
Where can I buy 7-Chloro-3-(2,3-dimercaptopropyl)-2,4(1H,3H)-quinazolinedione?
You can request a quote for 7-Chloro-3-(2,3-dimercaptopropyl)-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 7-Chloro-3-(2,3-dimercaptopropyl)-2,4(1H,3H)-quinazolinedione?
Yes, KEHONG BIO provides custom synthesis services for 7-Chloro-3-(2,3-dimercaptopropyl)-2,4(1H,3H)-quinazolinedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.