A4145/0176629
TL;DR: A4145/0176629 (CAS 893779-98-1) is a chemical compound with molecular formula C24H27F3N4OS and molecular weight 476.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(1-adamantyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
Also Known As: A4145/0176629, 2-[[5-(1-adamantyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide, 2-{[4-(prop-2-en-1-yl)-5-(tricyclo[3.3.1.1~3,7~]dec-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide, 2-{[5-(1-adamantyl)-4-allyl-4H-1,2,4-triazol-3-yl]thio}-N-[3-(trifluoromethyl)phenyl]acetamide, 2-{[5-(ADAMANTAN-1-YL)-4-(PROP-2-EN-1-YL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}-N-[3-(TRIFLUOROMETHYL)PHENYL]ACETAMIDE
| Molecular Formula | C24H27F3N4OS |
|---|---|
| Molecular Weight | 476.19 g/mol |
| LogP | 5.6815 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 476.18576 |
| Heavy Atoms | 33 |
| Complexity | 1028.9348 |
Chemical Identifiers
| CAS Number | 893779-98-1 |
|---|---|
| SMILES | C=CCN1C(=NN=C1SCC(=O)NC2=CC=CC(=C2)C(F)(F)F)C34CC5CC(C3)CC(C5)C4 |
Product Overview
A4145/0176629 (CAS 893779-98-1), with molecular formula C24H27F3N4OS and molecular weight 476.19 g/mol. IUPAC: 2-[[5-(1-adamantyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide.
Chemical Property Profile of A4145/0176629
Property Insights of A4145/0176629
The XLogP value of 5.6815 indicates that A4145/0176629 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.81 Ų, A4145/0176629 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A4145/0176629 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A4145/0176629?
The CAS number of A4145/0176629 is 893779-98-1.
What is the molecular formula of A4145/0176629?
The molecular formula of A4145/0176629 is C24H27F3N4OS.
What is the molecular weight of A4145/0176629?
The molecular weight of A4145/0176629 is 476.19 g/mol.
Where can I buy A4145/0176629?
You can request a quote for A4145/0176629 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A4145/0176629?
Yes, KEHONG BIO provides custom synthesis services for A4145/0176629 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.