RefChem:203859
TL;DR: RefChem:203859 (CAS 23776-98-9) is a chemical compound with molecular formula C18H19N3OS and molecular weight 325.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(benzylamino)methyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
Also Known As: ASN 05542006, (1)Benzothieno(2,3-d)pyrimidin-4(3H)-one, 5,6,7,8-tetrahydro-2-(((phenylmethyl)amino)methyl)-, 2-[(benzylamino)methyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3h)-one, 2-(((Phenylmethyl)amino)methyl)-5,6,7,8-tetrahydro-(1)benzothieno(2,3-d)pyrimidin-4(3H)-one, 2-((N-Benzylamino)methyl)-4-oxo-3,4,5,6,7,8-hexahydrobenzo(b)thieno(2,3-d)pyrimidine [French]
| Molecular Formula | C18H19N3OS |
|---|---|
| Molecular Weight | 325.12 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 81.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 325.12488 |
| Heavy Atoms | 23 |
| Complexity | 475.0 |
Chemical Identifiers
| CAS Number | 23776-98-9 |
|---|---|
| SMILES | C1CCC2=C(C1)C3=C(S2)N=C(NC3=O)CNCC4=CC=CC=C4 |
| InChIKey | VWWVQNWWLWMSBH-UHFFFAOYSA-N |
Product Overview
RefChem:203859 (CAS 23776-98-9), with molecular formula C18H19N3OS and molecular weight 325.12 g/mol. IUPAC: 2-[(benzylamino)methyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one.
Chemical Property Profile of RefChem:203859
Property Insights of RefChem:203859
The XLogP value of 3.0 indicates that RefChem:203859 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.7 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:203859. Following Lipinski's Rule of Five, RefChem:203859 has 2 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:203859?
The CAS number of RefChem:203859 is 23776-98-9.
What is the molecular formula of RefChem:203859?
The molecular formula of RefChem:203859 is C18H19N3OS.
What is the molecular weight of RefChem:203859?
The molecular weight of RefChem:203859 is 325.12 g/mol.
Where can I buy RefChem:203859?
You can request a quote for RefChem:203859 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:203859?
Yes, KEHONG BIO provides custom synthesis services for RefChem:203859 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.