RefChem:203876
TL;DR: RefChem:203876 (CAS 128352-90-9) is a chemical compound with molecular formula C22H27N3OS2 and molecular weight 413.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-morpholin-4-ylethyl)-4-phenyl-1,4,5,6,7,8-hexahydro-[1]benzothiolo[2,3-d]pyrimidine-2-thione
Also Known As: (1)Benzothieno(2,3-d)pyrimidine-2(1H)-thione, 3,4,5,6,7,8-hexahydro-3-(2-(4-morpholinyl)ethyl)-4-phenyl-, 3,4,5,6,7,8-Hexahydro-3-(2-morpholinoethyl)-4-phenyl[1]benzothieno[2,3-d]pyrimidine-2-thiol, 3-(2-morpholin-4-ylethyl)-4-phenyl-1,4,5,6,7,8-hexahydro-[1]benzothiolo[2,3-d]pyrimidine-2-thione, 3-(2-Morpholinoethyl)-3,4,5,6,7,8-hexahydro-4-phenyl[1]benzothieno[2,3-d]pyrimidine-2(1H)-thione, 3-[2-(Morpholin-4-yl)ethyl]-4-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidine-2-thiol
| Molecular Formula | C22H27N3OS2 |
|---|---|
| Molecular Weight | 413.16 g/mol |
| LogP | 4.0609 |
| Topological Polar Surface Area | 27.74 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 413.15955 |
| Heavy Atoms | 28 |
| Complexity | 844.9668 |
Chemical Identifiers
| CAS Number | 128352-90-9 |
|---|---|
| SMILES | C1CCC2=C(C1)C3=C(S2)NC(=S)N(C3C4=CC=CC=C4)CCN5CCOCC5 |
Product Overview
RefChem:203876 (CAS 128352-90-9), with molecular formula C22H27N3OS2 and molecular weight 413.16 g/mol. IUPAC: 3-(2-morpholin-4-ylethyl)-4-phenyl-1,4,5,6,7,8-hexahydro-[1]benzothiolo[2,3-d]pyrimidine-2-thione.
Chemical Property Profile of RefChem:203876
Property Insights of RefChem:203876
The XLogP value of 4.0609 indicates that RefChem:203876 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 27.74 Ų, RefChem:203876 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:203876 has 1 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 RefChem:203876?
The CAS number of RefChem:203876 is 128352-90-9.
What is the molecular formula of RefChem:203876?
The molecular formula of RefChem:203876 is C22H27N3OS2.
What is the molecular weight of RefChem:203876?
The molecular weight of RefChem:203876 is 413.16 g/mol.
Where can I buy RefChem:203876?
You can request a quote for RefChem:203876 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:203876?
Yes, KEHONG BIO provides custom synthesis services for RefChem:203876 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.