F0528-1002
TL;DR: F0528-1002 (CAS 477299-71-1) is a chemical compound with molecular formula C30H32N6O3S2 and molecular weight 588.20 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-(4-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide
Also Known As: F0528-1002, (1s,3s)-N-((5-((2-(benzo[d]thiazol-2-ylamino)-2-oxoethyl)thio)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)methyl)adamantane-1-carboxamide, N-{[5-({[(1,3-benzothiazol-2-yl)carbamoyl]methyl}sulfanyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]methyl}adamantane-1-carboxamide, N-[[5-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]sulfanyl-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide
| Molecular Formula | C30H32N6O3S2 |
|---|---|
| Molecular Weight | 588.20 g/mol |
| LogP | 5.449 |
| Topological Polar Surface Area | 111.03 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 588.19775 |
| Heavy Atoms | 41 |
| Complexity | 1528.9746 |
Chemical Identifiers
| CAS Number | 477299-71-1 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=NC4=CC=CC=C4S3)CNC(=O)C56CC7CC(C5)CC(C7)C6 |
Product Overview
F0528-1002 (CAS 477299-71-1), with molecular formula C30H32N6O3S2 and molecular weight 588.20 g/mol. IUPAC: N-[[5-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]sulfanyl-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide.
Chemical Property Profile of F0528-1002
Property Insights of F0528-1002
The XLogP value of 5.449 indicates that F0528-1002 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.03 Ų falls within the moderate polarity range, balancing permeability and solubility for F0528-1002. Following Lipinski's Rule of Five, F0528-1002 has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F0528-1002?
The CAS number of F0528-1002 is 477299-71-1.
What is the molecular formula of F0528-1002?
The molecular formula of F0528-1002 is C30H32N6O3S2.
What is the molecular weight of F0528-1002?
The molecular weight of F0528-1002 is 588.20 g/mol.
Where can I buy F0528-1002?
You can request a quote for F0528-1002 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0528-1002?
Yes, KEHONG BIO provides custom synthesis services for F0528-1002 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.