F0528-1647
TL;DR: F0528-1647 (CAS 476439-98-2) is a chemical compound with molecular formula C29H29FN6O2S2 and molecular weight 576.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[5-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]sulfanyl-4-(3-fluorophenyl)-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide
Also Known As: F0528-1647, N-{[5-({[(1,3-benzothiazol-2-yl)carbamoyl]methyl}sulfanyl)-4-(3-fluorophenyl)-4H-1,2,4-triazol-3-yl]methyl}adamantane-1-carboxamide, (1S,3s)-N-((5-((2-(benzo[d]thiazol-2-ylamino)-2-oxoethyl)thio)-4-(3-fluorophenyl)-4H-1,2,4-triazol-3-yl)methyl)adamantane-1-carboxamide, N-[[5-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]sulfanyl-4-(3-fluorophenyl)-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide
| Molecular Formula | C29H29FN6O2S2 |
|---|---|
| Molecular Weight | 576.18 g/mol |
| LogP | 5.5795 |
| Topological Polar Surface Area | 101.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 576.17773 |
| Heavy Atoms | 40 |
| Complexity | 1531.8624 |
Chemical Identifiers
| CAS Number | 476439-98-2 |
|---|---|
| SMILES | C1C2CC3CC1CC(C2)(C3)C(=O)NCC4=NN=C(N4C5=CC(=CC=C5)F)SCC(=O)NC6=NC7=CC=CC=C7S6 |
Product Overview
F0528-1647 (CAS 476439-98-2), with molecular formula C29H29FN6O2S2 and molecular weight 576.18 g/mol. IUPAC: N-[[5-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]sulfanyl-4-(3-fluorophenyl)-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide.
Chemical Property Profile of F0528-1647
Property Insights of F0528-1647
The XLogP value of 5.5795 indicates that F0528-1647 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.8 Ų falls within the moderate polarity range, balancing permeability and solubility for F0528-1647. Following Lipinski's Rule of Five, F0528-1647 has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F0528-1647?
The CAS number of F0528-1647 is 476439-98-2.
What is the molecular formula of F0528-1647?
The molecular formula of F0528-1647 is C29H29FN6O2S2.
What is the molecular weight of F0528-1647?
The molecular weight of F0528-1647 is 576.18 g/mol.
Where can I buy F0528-1647?
You can request a quote for F0528-1647 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0528-1647?
Yes, KEHONG BIO provides custom synthesis services for F0528-1647 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.