(1)Benzothieno(2,3-d)pyrimidine-2(1H)-thione, 3,4,5,6,7,8-hexahydro-4-phenyl-3-(2-(1-pyrrolidinyl)ethyl)-
TL;DR: (1)Benzothieno(2,3-d)pyrimidine-2(1H)-thione, 3,4,5,6,7,8-hexahydro-4-phenyl-3-(2-(1-pyrrolidinyl)ethyl)- (CAS 128352-92-1) is a chemical compound with molecular formula C22H27N3S2 and molecular weight 397.16 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)-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-4-phenyl-3-(2-(1-pyrrolidinyl)ethyl)-, 3-[2-(1-Pyrrolidinyl)ethyl]-3,4,5,6,7,8-hexahydro-4-phenyl[1]benzothieno[2,3-d]pyrimidine-2(1H)-thione, 3-phenyl-4-[2-(pyrrolidin-1-yl)ethyl]-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-diene-5-thione, 4-phenyl-3-(2-pyrrolidin-1-ylethyl)-1,4,5,6,7,8-hexahydro-[1]benzothiolo[2,3-d]pyrimidine-2-thione, 4-Phenyl-3-[2-(pyrrolidin-1-yl)ethyl]-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidine-2-thiol
| Molecular Formula | C22H27N3S2 |
|---|---|
| Molecular Weight | 397.16 g/mol |
| LogP | 4.8245 |
| Topological Polar Surface Area | 18.51 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 397.16464 |
| Heavy Atoms | 27 |
| Complexity | 823.5835 |
Chemical Identifiers
| CAS Number | 128352-92-1 |
|---|---|
| SMILES | C1CCC2=C(C1)C3=C(S2)NC(=S)N(C3C4=CC=CC=C4)CCN5CCCC5 |
Product Overview
(1)Benzothieno(2,3-d)pyrimidine-2(1H)-thione, 3,4,5,6,7,8-hexahydro-4-phenyl-3-(2-(1-pyrrolidinyl)ethyl)- (CAS 128352-92-1), with molecular formula C22H27N3S2 and molecular weight 397.16 g/mol. IUPAC: 4-phenyl-3-(2-pyrrolidin-1-ylethyl)-1,4,5,6,7,8-hexahydro-[1]benzothiolo[2,3-d]pyrimidine-2-thione.
Chemical Property Profile of (1)Benzothieno(2,3-d)pyrimidine-2(1H)-thione, 3,4,5,6,7,8-hexahydro-4-phenyl-3-(2-(1-pyrrolidinyl)ethyl)-
Property Insights of (1)Benzothieno(2,3-d)pyrimidine-2(1H)-thione, 3,4,5,6,7,8-hexahydro-4-phenyl-3-(2-(1-pyrrolidinyl)ethyl)-
The XLogP value of 4.8245 indicates that (1)Benzothieno(2,3-d)pyrimidine-2(1H)-thione, 3,4,5,6,7,8-hexahydro-4-phenyl-3-(2-(1-pyrrolidinyl)ethyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 18.51 Ų, (1)Benzothieno(2,3-d)pyrimidine-2(1H)-thione, 3,4,5,6,7,8-hexahydro-4-phenyl-3-(2-(1-pyrrolidinyl)ethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1)Benzothieno(2,3-d)pyrimidine-2(1H)-thione, 3,4,5,6,7,8-hexahydro-4-phenyl-3-(2-(1-pyrrolidinyl)ethyl)- has 1 hydrogen bond donor(s) and 3 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 (1)Benzothieno(2,3-d)pyrimidine-2(1H)-thione, 3,4,5,6,7,8-hexahydro-4-phenyl-3-(2-(1-pyrrolidinyl)ethyl)-?
The CAS number of (1)Benzothieno(2,3-d)pyrimidine-2(1H)-thione, 3,4,5,6,7,8-hexahydro-4-phenyl-3-(2-(1-pyrrolidinyl)ethyl)- is 128352-92-1.
What is the molecular formula of (1)Benzothieno(2,3-d)pyrimidine-2(1H)-thione, 3,4,5,6,7,8-hexahydro-4-phenyl-3-(2-(1-pyrrolidinyl)ethyl)-?
The molecular formula of (1)Benzothieno(2,3-d)pyrimidine-2(1H)-thione, 3,4,5,6,7,8-hexahydro-4-phenyl-3-(2-(1-pyrrolidinyl)ethyl)- is C22H27N3S2.
What is the molecular weight of (1)Benzothieno(2,3-d)pyrimidine-2(1H)-thione, 3,4,5,6,7,8-hexahydro-4-phenyl-3-(2-(1-pyrrolidinyl)ethyl)-?
The molecular weight of (1)Benzothieno(2,3-d)pyrimidine-2(1H)-thione, 3,4,5,6,7,8-hexahydro-4-phenyl-3-(2-(1-pyrrolidinyl)ethyl)- is 397.16 g/mol.
Where can I buy (1)Benzothieno(2,3-d)pyrimidine-2(1H)-thione, 3,4,5,6,7,8-hexahydro-4-phenyl-3-(2-(1-pyrrolidinyl)ethyl)-?
You can request a quote for (1)Benzothieno(2,3-d)pyrimidine-2(1H)-thione, 3,4,5,6,7,8-hexahydro-4-phenyl-3-(2-(1-pyrrolidinyl)ethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1)Benzothieno(2,3-d)pyrimidine-2(1H)-thione, 3,4,5,6,7,8-hexahydro-4-phenyl-3-(2-(1-pyrrolidinyl)ethyl)-?
Yes, KEHONG BIO provides custom synthesis services for (1)Benzothieno(2,3-d)pyrimidine-2(1H)-thione, 3,4,5,6,7,8-hexahydro-4-phenyl-3-(2-(1-pyrrolidinyl)ethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.