5R-0031
TL;DR: 5R-0031 (CAS 672949-33-6) is a chemical compound with molecular formula C19H15ClFN3O3S and molecular weight 419.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(2-chloro-6-fluorophenyl)methylsulfanyl]-8,9-dimethoxy-3H-imidazo[1,2-c]quinazolin-2-one
Also Known As: 5R-0031, 5-[(2-chloro-6-fluorobenzyl)sulfanyl]-8,9-dimethoxyimidazo[1,2-c]quinazolin-2(3H)-one, 5-[(2-chloro-6-fluorophenyl)methylsulfanyl]-8,9-dimethoxy-3H-imidazo[1,2-c]quinazolin-2-one, 5-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-8,9-dimethoxy-2H,3H-imidazo[1,2-c]quinazolin-2-one
| Molecular Formula | C19H15ClFN3O3S |
|---|---|
| Molecular Weight | 419.05 g/mol |
| LogP | 4.0196 |
| Topological Polar Surface Area | 63.49 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 419.05066 |
| Heavy Atoms | 28 |
| Complexity | 1021.07416 |
Chemical Identifiers
| CAS Number | 672949-33-6 |
|---|---|
| SMILES | COC1=C(C=C2C(=C1)C3=NC(=O)CN3C(=N2)SCC4=C(C=CC=C4Cl)F)OC |
Product Overview
5R-0031 (CAS 672949-33-6), with molecular formula C19H15ClFN3O3S and molecular weight 419.05 g/mol. IUPAC: 5-[(2-chloro-6-fluorophenyl)methylsulfanyl]-8,9-dimethoxy-3H-imidazo[1,2-c]quinazolin-2-one.
Chemical Property Profile of 5R-0031
Property Insights of 5R-0031
The XLogP value of 4.0196 indicates that 5R-0031 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.49 Ų falls within the moderate polarity range, balancing permeability and solubility for 5R-0031. Following Lipinski's Rule of Five, 5R-0031 has 0 hydrogen bond donor(s) and 6 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 5R-0031?
The CAS number of 5R-0031 is 672949-33-6.
What is the molecular formula of 5R-0031?
The molecular formula of 5R-0031 is C19H15ClFN3O3S.
What is the molecular weight of 5R-0031?
The molecular weight of 5R-0031 is 419.05 g/mol.
Where can I buy 5R-0031?
You can request a quote for 5R-0031 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5R-0031?
Yes, KEHONG BIO provides custom synthesis services for 5R-0031 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.