A2698/0114816
TL;DR: A2698/0114816 (CAS 447454-72-0) is a chemical compound with molecular formula C26H28N6O2S and molecular weight 488.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-[[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]amino]phenyl]adamantane-1-carboxamide
Also Known As: A2698/0114816, N-[3-[[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]amino]phenyl]adamantane-1-carboxamide, N-[3-(adamantanylcarbonylamino)phenyl]-2-(1-phenyl(1,2,3,4-tetraazol-5-ylthio) )acetamide, N-(3-{2-[(1-PHENYL-1H-1,2,3,4-TETRAZOL-5-YL)SULFANYL]ACETAMIDO}PHENYL)ADAMANTANE-1-CARBOXAMIDE, N-[3-({[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]acetyl}amino)phenyl]tricyclo[3.3.1.1~3,7~]decane-1-carboxamide
| Molecular Formula | C26H28N6O2S |
|---|---|
| Molecular Weight | 488.20 g/mol |
| LogP | 4.548 |
| Topological Polar Surface Area | 101.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 488.19943 |
| Heavy Atoms | 35 |
| Complexity | 1208.1195 |
Chemical Identifiers
| CAS Number | 447454-72-0 |
|---|---|
| SMILES | C1C2CC3CC1CC(C2)(C3)C(=O)NC4=CC=CC(=C4)NC(=O)CSC5=NN=NN5C6=CC=CC=C6 |
Product Overview
A2698/0114816 (CAS 447454-72-0), with molecular formula C26H28N6O2S and molecular weight 488.20 g/mol. IUPAC: N-[3-[[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]amino]phenyl]adamantane-1-carboxamide.
Chemical Property Profile of A2698/0114816
Property Insights of A2698/0114816
The XLogP value of 4.548 indicates that A2698/0114816 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 A2698/0114816. Following Lipinski's Rule of Five, A2698/0114816 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A2698/0114816?
The CAS number of A2698/0114816 is 447454-72-0.
What is the molecular formula of A2698/0114816?
The molecular formula of A2698/0114816 is C26H28N6O2S.
What is the molecular weight of A2698/0114816?
The molecular weight of A2698/0114816 is 488.20 g/mol.
Where can I buy A2698/0114816?
You can request a quote for A2698/0114816 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2698/0114816?
Yes, KEHONG BIO provides custom synthesis services for A2698/0114816 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.