![N-benzyl-2-({3-[(4-fluorophenyl)methyl]-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetamide structure](/static/products/4503/450372-76-6.webp)
N-benzyl-2-({3-[(4-fluorophenyl)methyl]-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetamide
TL;DR: N-benzyl-2-({3-[(4-fluorophenyl)methyl]-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetamide (CAS 450372-76-6) is a chemical compound with molecular formula C22H18FN3O2S2 and molecular weight 439.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-2-[3-[(4-fluorophenyl)methyl]-4-oxothieno[3,2-d]pyrimidin-2-yl]sulfanylacetamide
Also Known As: N-benzyl-2-({3-[(4-fluorophenyl)methyl]-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetamide, F0913-4209, N-benzyl-2-[3-[(4-fluorophenyl)methyl]-4-oxothieno[3,2-d]pyrimidin-2-yl]sulfanylacetamide, N-benzyl-2-{[3-(4-fluorobenzyl)-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide
| Molecular Formula | C22H18FN3O2S2 |
|---|---|
| Molecular Weight | 439.08 g/mol |
| LogP | 4.0539 |
| Topological Polar Surface Area | 63.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 439.08246 |
| Heavy Atoms | 30 |
| Complexity | 1220.8553 |
Chemical Identifiers
| CAS Number | 450372-76-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNC(=O)CSC2=NC3=C(C(=O)N2CC4=CC=C(C=C4)F)SC=C3 |
Product Overview
N-benzyl-2-({3-[(4-fluorophenyl)methyl]-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetamide (CAS 450372-76-6), with molecular formula C22H18FN3O2S2 and molecular weight 439.08 g/mol. IUPAC: N-benzyl-2-[3-[(4-fluorophenyl)methyl]-4-oxothieno[3,2-d]pyrimidin-2-yl]sulfanylacetamide.
Chemical Property Profile of N-benzyl-2-({3-[(4-fluorophenyl)methyl]-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetamide
Property Insights of N-benzyl-2-({3-[(4-fluorophenyl)methyl]-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetamide
The XLogP value of 4.0539 indicates that N-benzyl-2-({3-[(4-fluorophenyl)methyl]-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.99 Ų falls within the moderate polarity range, balancing permeability and solubility for N-benzyl-2-({3-[(4-fluorophenyl)methyl]-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetamide. Following Lipinski's Rule of Five, N-benzyl-2-({3-[(4-fluorophenyl)methyl]-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetamide has 1 hydrogen bond donor(s) and 5 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 N-benzyl-2-({3-[(4-fluorophenyl)methyl]-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetamide?
The CAS number of N-benzyl-2-({3-[(4-fluorophenyl)methyl]-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetamide is 450372-76-6.
What is the molecular formula of N-benzyl-2-({3-[(4-fluorophenyl)methyl]-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetamide?
The molecular formula of N-benzyl-2-({3-[(4-fluorophenyl)methyl]-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetamide is C22H18FN3O2S2.
What is the molecular weight of N-benzyl-2-({3-[(4-fluorophenyl)methyl]-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetamide?
The molecular weight of N-benzyl-2-({3-[(4-fluorophenyl)methyl]-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetamide is 439.08 g/mol.
Where can I buy N-benzyl-2-({3-[(4-fluorophenyl)methyl]-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetamide?
You can request a quote for N-benzyl-2-({3-[(4-fluorophenyl)methyl]-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-benzyl-2-({3-[(4-fluorophenyl)methyl]-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-benzyl-2-({3-[(4-fluorophenyl)methyl]-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.