F1001-0062
TL;DR: F1001-0062 (CAS 328017-98-7) is a chemical compound with molecular formula C21H21N5S2 and molecular weight 407.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-[4-(dimethylamino)phenyl]-2-[4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]prop-2-enenitrile
Also Known As: F1001-0062, (2E)-3-[4-(DIMETHYLAMINO)PHENYL]-2-(4-{[(4,6-DIMETHYLPYRIMIDIN-2-YL)SULFANYL]METHYL}-1,3-THIAZOL-2-YL)PROP-2-ENENITRILE, (E)-3-(4-(dimethylamino)phenyl)-2-(4-(((4,6-dimethylpyrimidin-2-yl)thio)methyl)thiazol-2-yl)acrylonitrile, (2E)-3-[4-(dimethylamino)phenyl]-2-{4-[(4,6-dimethylpyrimidin-2-ylthio)methyl] (1,3-thiazol-2-yl)}prop-2-enenitrile, (E)-3-(4-dimethylaminophenyl)-2-[4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]prop-2-enenitrile
| Molecular Formula | C21H21N5S2 |
|---|---|
| Molecular Weight | 407.12 g/mol |
| LogP | 4.97242 |
| Topological Polar Surface Area | 65.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 407.12384 |
| Heavy Atoms | 28 |
| Complexity | 1009.44464 |
Chemical Identifiers
| CAS Number | 328017-98-7 |
|---|---|
| SMILES | CC1=CC(=NC(=N1)SCC2=CSC(=N2)/C(=C/C3=CC=C(C=C3)N(C)C)/C#N)C |
Product Overview
F1001-0062 (CAS 328017-98-7), with molecular formula C21H21N5S2 and molecular weight 407.12 g/mol. IUPAC: (E)-3-[4-(dimethylamino)phenyl]-2-[4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]prop-2-enenitrile.
Chemical Property Profile of F1001-0062
Property Insights of F1001-0062
The XLogP value of 4.97242 indicates that F1001-0062 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.7 Ų falls within the moderate polarity range, balancing permeability and solubility for F1001-0062. Following Lipinski's Rule of Five, F1001-0062 has 0 hydrogen bond donor(s) and 7 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 F1001-0062?
The CAS number of F1001-0062 is 328017-98-7.
What is the molecular formula of F1001-0062?
The molecular formula of F1001-0062 is C21H21N5S2.
What is the molecular weight of F1001-0062?
The molecular weight of F1001-0062 is 407.12 g/mol.
Where can I buy F1001-0062?
You can request a quote for F1001-0062 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1001-0062?
Yes, KEHONG BIO provides custom synthesis services for F1001-0062 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.