RefChem:203861
TL;DR: RefChem:203861 (CAS 23776-36-5) is a chemical compound with molecular formula C15H21N3OS and molecular weight 291.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(diethylaminomethyl)-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
Also Known As: (1)Benzothieno(2,3-d)pyrimidin-4(3H)-one, 5,6,7,8-tetrahydro-2-((diethylamino)methyl)-, 2-((Diethylamino)methyl)-5,6,7,8-tetrahydro-(1)benzothieno(2,3-d)pyrimidin-4(3H)-one, 2-[(diethylamino)methyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3h)-one, 2-(Diethylaminomethyl)-4-oxo-3,4,5,6,7,8-hexahydrobenzo(b)thieno(2,3-d)pyrimidine [French], 2-(Diethylaminomethyl)-4-oxo-3,4,5,6,7,8-hexahydrobenzo(b)thieno(2,3-d)pyrimidine
| Molecular Formula | C15H21N3OS |
|---|---|
| Molecular Weight | 291.14 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 72.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 291.14053 |
| Heavy Atoms | 20 |
| Complexity | 408.0 |
Chemical Identifiers
| CAS Number | 23776-36-5 |
|---|---|
| SMILES | CCN(CC)CC1=NC2=C(C3=C(S2)CCCC3)C(=O)N1 |
| InChIKey | IQLKRIXPVZJLFY-UHFFFAOYSA-N |
Product Overview
RefChem:203861 (CAS 23776-36-5), with molecular formula C15H21N3OS and molecular weight 291.14 g/mol. IUPAC: 2-(diethylaminomethyl)-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one.
Chemical Property Profile of RefChem:203861
Property Insights of RefChem:203861
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:203861. The TPSA of 72.9 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:203861. Following Lipinski's Rule of Five, RefChem:203861 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:203861?
The CAS number of RefChem:203861 is 23776-36-5.
What is the molecular formula of RefChem:203861?
The molecular formula of RefChem:203861 is C15H21N3OS.
What is the molecular weight of RefChem:203861?
The molecular weight of RefChem:203861 is 291.14 g/mol.
Where can I buy RefChem:203861?
You can request a quote for RefChem:203861 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:203861?
Yes, KEHONG BIO provides custom synthesis services for RefChem:203861 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.