F0779-0069
TL;DR: F0779-0069 (CAS 396724-81-5) is a chemical compound with molecular formula C24H21N3OS3 and molecular weight 463.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamothioyl]-4-methylbenzamide
Also Known As: F0779-0069, 3-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1-(4-methylbenzoyl)thiourea, N-((3-(benzo[d]thiazol-2-yl)-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)carbamothioyl)-4-methylbenzamide, N-[[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamothioyl]-4-methylbenzamide, {3-[3-(1,3-benzothiazol-2-yl)-1-thia-4,5,6,7-tetrahydro-2-indenyl]thioureido}(p-tolyl)methanone
| Molecular Formula | C24H21N3OS3 |
|---|---|
| Molecular Weight | 463.08 g/mol |
| LogP | 6.33882 |
| Topological Polar Surface Area | 54.02 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 463.0847 |
| Heavy Atoms | 31 |
| Complexity | 1254.3982 |
Chemical Identifiers
| CAS Number | 396724-81-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C3=C(S2)CCCC3)C4=NC5=CC=CC=C5S4 |
Product Overview
F0779-0069 (CAS 396724-81-5), with molecular formula C24H21N3OS3 and molecular weight 463.08 g/mol. IUPAC: N-[[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamothioyl]-4-methylbenzamide.
Chemical Property Profile of F0779-0069
Property Insights of F0779-0069
The XLogP value of 6.33882 indicates that F0779-0069 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.02 Ų, F0779-0069 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, F0779-0069 has 2 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 F0779-0069?
The CAS number of F0779-0069 is 396724-81-5.
What is the molecular formula of F0779-0069?
The molecular formula of F0779-0069 is C24H21N3OS3.
What is the molecular weight of F0779-0069?
The molecular weight of F0779-0069 is 463.08 g/mol.
Where can I buy F0779-0069?
You can request a quote for F0779-0069 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0779-0069?
Yes, KEHONG BIO provides custom synthesis services for F0779-0069 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.