AB00079124-01
TL;DR: AB00079124-01 (CAS 754154-20-6) is a chemical compound with molecular formula C25H36N4O and molecular weight 408.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1-adamantyl)-2-[3-[2-(diethylamino)ethyl]-2-iminobenzimidazol-1-yl]ethanone
Also Known As: AB00079124-01, 2-{3-[2-(diethylamino)ethyl]-2-imino-2,3-dihydro-1H-benzimidazol-1-yl}-1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethanone, 1-(1-adamantyl)-2-[3-(2-diethylaminoethyl)-2-imino-benzoimidazol-1-yl]ethanone, 1-(1-adamantyl)-2-[3-(2-diethylaminoethyl)-2-iminobenzimidazol-1-yl]ethanone, 1-(1-adamantyl)-2-[3-[2-(diethylamino)ethyl]-2-iminobenzimidazol-1-yl]ethanone
| Molecular Formula | C25H36N4O |
|---|---|
| Molecular Weight | 408.29 g/mol |
| LogP | 4.04957 |
| Topological Polar Surface Area | 54.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 408.2889 |
| Heavy Atoms | 30 |
| Complexity | 960.94836 |
Chemical Identifiers
| CAS Number | 754154-20-6 |
|---|---|
| SMILES | CCN(CC)CCN1C2=CC=CC=C2N(C1=N)CC(=O)C34CC5CC(C3)CC(C5)C4 |
Product Overview
AB00079124-01 (CAS 754154-20-6), with molecular formula C25H36N4O and molecular weight 408.29 g/mol. IUPAC: 1-(1-adamantyl)-2-[3-[2-(diethylamino)ethyl]-2-iminobenzimidazol-1-yl]ethanone.
Chemical Property Profile of AB00079124-01
Property Insights of AB00079124-01
The XLogP value of 4.04957 indicates that AB00079124-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.02 Ų, AB00079124-01 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB00079124-01 has 1 hydrogen bond donor(s) and 3 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 AB00079124-01?
The CAS number of AB00079124-01 is 754154-20-6.
What is the molecular formula of AB00079124-01?
The molecular formula of AB00079124-01 is C25H36N4O.
What is the molecular weight of AB00079124-01?
The molecular weight of AB00079124-01 is 408.29 g/mol.
Where can I buy AB00079124-01?
You can request a quote for AB00079124-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00079124-01?
Yes, KEHONG BIO provides custom synthesis services for AB00079124-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.