F0528-1377
TL;DR: F0528-1377 (CAS 477303-47-2) is a chemical compound with molecular formula C29H32FN5O2S and molecular weight 533.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[4-benzyl-5-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide
Also Known As: F0528-1377, (1S,3s)-N-((4-benzyl-5-((2-((4-fluorophenyl)amino)-2-oxoethyl)thio)-4H-1,2,4-triazol-3-yl)methyl)adamantane-1-carboxamide, N-[[4-benzyl-5-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide, N-{[4-benzyl-5-({[(4-fluorophenyl)carbamoyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}adamantane-1-carboxamide
| Molecular Formula | C29H32FN5O2S |
|---|---|
| Molecular Weight | 533.23 g/mol |
| LogP | 5.0289 |
| Topological Polar Surface Area | 88.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 533.2261 |
| Heavy Atoms | 38 |
| Complexity | 1274.9783 |
Chemical Identifiers
| CAS Number | 477303-47-2 |
|---|---|
| SMILES | C1C2CC3CC1CC(C2)(C3)C(=O)NCC4=NN=C(N4CC5=CC=CC=C5)SCC(=O)NC6=CC=C(C=C6)F |
Product Overview
F0528-1377 (CAS 477303-47-2), with molecular formula C29H32FN5O2S and molecular weight 533.23 g/mol. IUPAC: N-[[4-benzyl-5-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide.
Chemical Property Profile of F0528-1377
Property Insights of F0528-1377
The XLogP value of 5.0289 indicates that F0528-1377 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.91 Ų falls within the moderate polarity range, balancing permeability and solubility for F0528-1377. Following Lipinski's Rule of Five, F0528-1377 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 F0528-1377?
The CAS number of F0528-1377 is 477303-47-2.
What is the molecular formula of F0528-1377?
The molecular formula of F0528-1377 is C29H32FN5O2S.
What is the molecular weight of F0528-1377?
The molecular weight of F0528-1377 is 533.23 g/mol.
Where can I buy F0528-1377?
You can request a quote for F0528-1377 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0528-1377?
Yes, KEHONG BIO provides custom synthesis services for F0528-1377 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.