F1601-0064
TL;DR: F1601-0064 (CAS 865655-30-7) is a chemical compound with molecular formula C28H28N4O6S and molecular weight 548.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-ylmethyl)-4-[1-[2-(2,4-dimethylanilino)-2-oxoethyl]-2,4-dioxothieno[3,2-d]pyrimidin-3-yl]butanamide
Also Known As: F1601-0064, N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(1-{[(2,4-dimethylphenyl)carbamoyl]methyl}-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl)butanamide, N-(1,3-benzodioxol-5-ylmethyl)-4-[1-[2-(2,4-dimethylanilino)-2-oxoethyl]-2,4-dioxothieno[3,2-d]pyrimidin-3-yl]butanamide, N-(1,3-benzodioxol-5-ylmethyl)-4-[1-{2-[(2,4-dimethylphenyl)amino]-2-oxoethyl}-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl]butanamide, N-(benzo[d][1,3]dioxol-5-ylmethyl)-4-(1-(2-((2,4-dimethylphenyl)amino)-2-oxoethyl)-2,4-dioxo-1,2-dihydrothieno[3,2-d]pyrimidin-3(4H)-yl)butanamide
| Molecular Formula | C28H28N4O6S |
|---|---|
| Molecular Weight | 548.17 g/mol |
| LogP | 3.30554 |
| Topological Polar Surface Area | 120.66 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 548.173 |
| Heavy Atoms | 39 |
| Complexity | 1685.8625 |
Chemical Identifiers
| CAS Number | 865655-30-7 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)NC(=O)CN2C3=C(C(=O)N(C2=O)CCCC(=O)NCC4=CC5=C(C=C4)OCO5)SC=C3)C |
Product Overview
F1601-0064 (CAS 865655-30-7), with molecular formula C28H28N4O6S and molecular weight 548.17 g/mol. IUPAC: N-(1,3-benzodioxol-5-ylmethyl)-4-[1-[2-(2,4-dimethylanilino)-2-oxoethyl]-2,4-dioxothieno[3,2-d]pyrimidin-3-yl]butanamide.
Chemical Property Profile of F1601-0064
Property Insights of F1601-0064
The XLogP value of 3.30554 indicates that F1601-0064 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 120.66 Ų falls within the moderate polarity range, balancing permeability and solubility for F1601-0064. Following Lipinski's Rule of Five, F1601-0064 has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F1601-0064?
The CAS number of F1601-0064 is 865655-30-7.
What is the molecular formula of F1601-0064?
The molecular formula of F1601-0064 is C28H28N4O6S.
What is the molecular weight of F1601-0064?
The molecular weight of F1601-0064 is 548.17 g/mol.
Where can I buy F1601-0064?
You can request a quote for F1601-0064 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1601-0064?
Yes, KEHONG BIO provides custom synthesis services for F1601-0064 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.