RefChem:203887
TL;DR: RefChem:203887 (CAS 128368-39-8) is a chemical compound with molecular formula C22H25N3S2 and molecular weight 395.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-phenyl-3-(2-pyrrolidin-1-ylethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-2-thione
Also Known As: (1)Benzothieno(2,3-d)pyrimidine-2(3H)-thione, 5,6,7,8-tetrahydro-4-phenyl-3-(2-pyrrolidinyl)ethyl)-, 3-[2-(1-Pyrrolidinyl)ethyl]-5,6,7,8-tetrahydro-4-phenyl[1]benzothieno[2,3-d]pyrimidine-2(3H)-thione, 3-phenyl-4-[2-(pyrrolidin-1-yl)ethyl]-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,6-triene-5-thione, 4-phenyl-3-(2-pyrrolidin-1-ylethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-2-thione, 4-Phenyl-3-[2-(pyrrolidin-1-yl)ethyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine-2(3H)-thione
| Molecular Formula | C22H25N3S2 |
|---|---|
| Molecular Weight | 395.15 g/mol |
| LogP | 5.46889 |
| Topological Polar Surface Area | 21.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 395.149 |
| Heavy Atoms | 27 |
| Complexity | 1013.4542 |
Chemical Identifiers
| CAS Number | 128368-39-8 |
|---|---|
| SMILES | C1CCC2=C(C1)C3=C(N(C(=S)N=C3S2)CCN4CCCC4)C5=CC=CC=C5 |
Product Overview
RefChem:203887 (CAS 128368-39-8), with molecular formula C22H25N3S2 and molecular weight 395.15 g/mol. IUPAC: 4-phenyl-3-(2-pyrrolidin-1-ylethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-2-thione.
Chemical Property Profile of RefChem:203887
Property Insights of RefChem:203887
The XLogP value of 5.46889 indicates that RefChem:203887 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 21.06 Ų, RefChem:203887 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:203887 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:203887?
The CAS number of RefChem:203887 is 128368-39-8.
What is the molecular formula of RefChem:203887?
The molecular formula of RefChem:203887 is C22H25N3S2.
What is the molecular weight of RefChem:203887?
The molecular weight of RefChem:203887 is 395.15 g/mol.
Where can I buy RefChem:203887?
You can request a quote for RefChem:203887 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:203887?
Yes, KEHONG BIO provides custom synthesis services for RefChem:203887 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.