AN-512/13208117
TL;DR: AN-512/13208117 (CAS 790176-24-8) is a chemical compound with molecular formula C25H34N4O2 and molecular weight 422.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1-adamantyl)-2-[2-imino-3-(2-morpholin-4-ylethyl)benzimidazol-1-yl]ethanone
Also Known As: AN-512/13208117, 2-{2-imino-3-[2-(morpholin-4-yl)ethyl]-2,3-dihydro-1H-benzimidazol-1-yl}-1-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-yl]ethanone, 1-(1-adamantyl)-2-[2-imino-3-(2-morpholin-4-ylethyl)benzimidazol-1-yl]ethanone, 1-(1-adamantyl)-2-[2-imino-3-(2-morpholin-4-ylethyl)benzoimidazol-1-yl]ethanone, 1-(1-adamantyl)-2-{2-imino-3-[2-(4-morpholinyl)ethyl]-2,3-dihydro-1H-benzimidazol-1-yl}ethanone
| Molecular Formula | C25H34N4O2 |
|---|---|
| Molecular Weight | 422.27 g/mol |
| LogP | 3.03997 |
| Topological Polar Surface Area | 63.25 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 422.2682 |
| Heavy Atoms | 31 |
| Complexity | 1010.17535 |
Chemical Identifiers
| CAS Number | 790176-24-8 |
|---|---|
| SMILES | C1COCCN1CCN2C3=CC=CC=C3N(C2=N)CC(=O)C45CC6CC(C4)CC(C6)C5 |
Product Overview
AN-512/13208117 (CAS 790176-24-8), with molecular formula C25H34N4O2 and molecular weight 422.27 g/mol. IUPAC: 1-(1-adamantyl)-2-[2-imino-3-(2-morpholin-4-ylethyl)benzimidazol-1-yl]ethanone.
Chemical Property Profile of AN-512/13208117
Property Insights of AN-512/13208117
The XLogP value of 3.03997 indicates that AN-512/13208117 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.25 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-512/13208117. Following Lipinski's Rule of Five, AN-512/13208117 has 1 hydrogen bond donor(s) and 4 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 AN-512/13208117?
The CAS number of AN-512/13208117 is 790176-24-8.
What is the molecular formula of AN-512/13208117?
The molecular formula of AN-512/13208117 is C25H34N4O2.
What is the molecular weight of AN-512/13208117?
The molecular weight of AN-512/13208117 is 422.27 g/mol.
Where can I buy AN-512/13208117?
You can request a quote for AN-512/13208117 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-512/13208117?
Yes, KEHONG BIO provides custom synthesis services for AN-512/13208117 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.