RefChem:284099
TL;DR: RefChem:284099 (CAS 117039-04-0) is a chemical compound with molecular formula C26H31ClN4O4S and molecular weight 530.1755 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(4-methoxyphenyl)-2-[1-morpholin-4-yl-3-(2-oxopyrrolidin-1-yl)propan-2-yl]sulfanylquinazolin-4-one;hydrochloride
Also Known As: 4(3H)-Quinazolinone, 3-(4-methoxyphenyl)-2-((1-(4-morpholinylmethyl)-2-(2-oxo-1-pyrrolidinyl)ethyl)thio)-, monohydrochloride, 3-(4-Methoxyphenyl)-2-((2-(4-morpholinyl)-1-((2-oxo-1-pyrrolidinyl)methyl)ethyl)thio)-4(3H)-quinazolinone hydrochloride, 3-(4-methoxyphenyl)-2-[1-morpholin-4-yl-3-(2-oxopyrrolidin-1-yl)propan-2-yl]sulfanylquinazolin-4-one hydrochloride, 3-(4-Methoxyphenyl)-2-{[1-(morpholin-4-yl)-3-(2-oxopyrrolidin-1-yl)propan-2-yl]sulfanyl}quinazolin-4(3H)-one--hydrogen chloride (1/1)
Technical Specifications
| Molecular Formula | C26H31ClN4O4S |
| Molecular Weight | 530.1755 g/mol |
| XLogP | 3.23 |
| Topological Polar Surface Area (TPSA) | 100.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 530.1755 Da |
| Heavy Atoms | 36 |
| Complexity | 781.0 |
| SMILES | COC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SC(CN4CCOCC4)CN5CCCC5=O.Cl |
| InChIKey | DHUHYOTYMOKHCC-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:284099
Property Insights of RefChem:284099
The XLogP value of 3.23 indicates that RefChem:284099 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:284099. Following Lipinski's Rule of Five, RefChem:284099 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of RefChem:284099?
The CAS number of RefChem:284099 is 117039-04-0.
What is the molecular formula of RefChem:284099?
The molecular formula of RefChem:284099 is C26H31ClN4O4S.
What is the molecular weight of RefChem:284099?
The molecular weight of RefChem:284099 is 530.1755 g/mol.
Where can I buy RefChem:284099?
You can request a quote for RefChem:284099 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:284099?
Yes, CoreyChem provides custom synthesis services for RefChem:284099 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.