F0528-0985
TL;DR: F0528-0985 (CAS 476452-63-8) is a chemical compound with molecular formula C29H33N5O3S and molecular weight 531.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[5-(2-anilino-2-oxoethyl)sulfanyl-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide
Also Known As: F0528-0985, (1S,3s)-N-((4-(4-methoxyphenyl)-5-((2-oxo-2-(phenylamino)ethyl)thio)-4H-1,2,4-triazol-3-yl)methyl)adamantane-1-carboxamide, N-[[5-(2-anilino-2-oxoethyl)sulfanyl-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide, N-{[4-(4-methoxyphenyl)-5-{[(phenylcarbamoyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]methyl}adamantane-1-carboxamide
| Molecular Formula | C29H33N5O3S |
|---|---|
| Molecular Weight | 531.23 g/mol |
| LogP | 4.8393 |
| Topological Polar Surface Area | 98.14 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 531.2304 |
| Heavy Atoms | 38 |
| Complexity | 1272.2234 |
Chemical Identifiers
| CAS Number | 476452-63-8 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC=CC=C3)CNC(=O)C45CC6CC(C4)CC(C6)C5 |
Product Overview
F0528-0985 (CAS 476452-63-8), with molecular formula C29H33N5O3S and molecular weight 531.23 g/mol. IUPAC: N-[[5-(2-anilino-2-oxoethyl)sulfanyl-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide.
Chemical Property Profile of F0528-0985
Property Insights of F0528-0985
The XLogP value of 4.8393 indicates that F0528-0985 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.14 Ų falls within the moderate polarity range, balancing permeability and solubility for F0528-0985. Following Lipinski's Rule of Five, F0528-0985 has 2 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 F0528-0985?
The CAS number of F0528-0985 is 476452-63-8.
What is the molecular formula of F0528-0985?
The molecular formula of F0528-0985 is C29H33N5O3S.
What is the molecular weight of F0528-0985?
The molecular weight of F0528-0985 is 531.23 g/mol.
Where can I buy F0528-0985?
You can request a quote for F0528-0985 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0528-0985?
Yes, KEHONG BIO provides custom synthesis services for F0528-0985 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.