F1601-0404
TL;DR: F1601-0404 (CAS 866013-57-2) is a chemical compound with molecular formula C27H25ClN4O3S and molecular weight 520.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(2-chlorophenyl)methyl]-6-[1-[(2-cyanophenyl)methyl]-2,4-dioxothieno[3,2-d]pyrimidin-3-yl]hexanamide
Also Known As: F1601-0404, N-[(2-chlorophenyl)methyl]-6-{1-[(2-cyanophenyl)methyl]-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl}hexanamide, N-(2-chlorobenzyl)-6-[1-(2-cyanobenzyl)-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl]hexanamide, N-[(2-chlorophenyl)methyl]-6-[1-[(2-cyanophenyl)methyl]-2,4-dioxothieno[3,2-d]pyrimidin-3-yl]hexanamide, N-(2-chlorobenzyl)-6-(1-(2-cyanobenzyl)-2,4-dioxo-1,2-dihydrothieno[3,2-d]pyrimidin-3(4H)-yl)hexanamide
| Molecular Formula | C27H25ClN4O3S |
|---|---|
| Molecular Weight | 520.13 g/mol |
| LogP | 4.67488 |
| Topological Polar Surface Area | 96.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 520.1336 |
| Heavy Atoms | 36 |
| Complexity | 1547.143 |
Chemical Identifiers
| CAS Number | 866013-57-2 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CNC(=O)CCCCCN2C(=O)C3=C(C=CS3)N(C2=O)CC4=CC=CC=C4C#N)Cl |
Product Overview
F1601-0404 (CAS 866013-57-2), with molecular formula C27H25ClN4O3S and molecular weight 520.13 g/mol. IUPAC: N-[(2-chlorophenyl)methyl]-6-[1-[(2-cyanophenyl)methyl]-2,4-dioxothieno[3,2-d]pyrimidin-3-yl]hexanamide.
Chemical Property Profile of F1601-0404
Property Insights of F1601-0404
The XLogP value of 4.67488 indicates that F1601-0404 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.89 Ų falls within the moderate polarity range, balancing permeability and solubility for F1601-0404. Following Lipinski's Rule of Five, F1601-0404 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F1601-0404?
The CAS number of F1601-0404 is 866013-57-2.
What is the molecular formula of F1601-0404?
The molecular formula of F1601-0404 is C27H25ClN4O3S.
What is the molecular weight of F1601-0404?
The molecular weight of F1601-0404 is 520.13 g/mol.
Where can I buy F1601-0404?
You can request a quote for F1601-0404 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1601-0404?
Yes, KEHONG BIO provides custom synthesis services for F1601-0404 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.