F0528-1061
TL;DR: F0528-1061 (CAS 477300-29-1) is a chemical compound with molecular formula C28H38N4O3S and molecular weight 510.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[5-[(adamantane-1-carbonylamino)methyl]-4-(2,6-diethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate
Also Known As: F0528-1061, ethyl 2-((5-(((1s,3s)-adamantane-1-carboxamido)methyl)-4-(2,6-diethylphenyl)-4H-1,2,4-triazol-3-yl)thio)acetate, ethyl 2-[(5-{[(adamantan-1-yl)formamido]methyl}-4-(2,6-diethylphenyl)-4H-1,2,4-triazol-3-yl)sulfanyl]acetate, ethyl 2-[[5-[(adamantane-1-carbonylamino)methyl]-4-(2,6-diethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate
| Molecular Formula | C28H38N4O3S |
|---|---|
| Molecular Weight | 510.27 g/mol |
| LogP | 4.8799 |
| Topological Polar Surface Area | 86.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 510.26645 |
| Heavy Atoms | 36 |
| Complexity | 1070.459 |
Chemical Identifiers
| CAS Number | 477300-29-1 |
|---|---|
| SMILES | CCC1=C(C(=CC=C1)CC)N2C(=NN=C2SCC(=O)OCC)CNC(=O)C34CC5CC(C3)CC(C5)C4 |
Product Overview
F0528-1061 (CAS 477300-29-1), with molecular formula C28H38N4O3S and molecular weight 510.27 g/mol. IUPAC: ethyl 2-[[5-[(adamantane-1-carbonylamino)methyl]-4-(2,6-diethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate.
Chemical Property Profile of F0528-1061
Property Insights of F0528-1061
The XLogP value of 4.8799 indicates that F0528-1061 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.11 Ų falls within the moderate polarity range, balancing permeability and solubility for F0528-1061. Following Lipinski's Rule of Five, F0528-1061 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F0528-1061?
The CAS number of F0528-1061 is 477300-29-1.
What is the molecular formula of F0528-1061?
The molecular formula of F0528-1061 is C28H38N4O3S.
What is the molecular weight of F0528-1061?
The molecular weight of F0528-1061 is 510.27 g/mol.
Where can I buy F0528-1061?
You can request a quote for F0528-1061 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0528-1061?
Yes, KEHONG BIO provides custom synthesis services for F0528-1061 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.