ASN 13389525
TL;DR: ASN 13389525 (CAS 879617-92-2) is a chemical compound with molecular formula C25H32N4O2S and molecular weight 452.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1-adamantyl)-2-[[5-[(4-methoxyphenyl)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: ASN 13389525, 2-{[5-(4-methoxybenzyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(tricyclo[3.3.1.1~3,7~]dec-1-yl)acetamide, 2-[[5-[(4-Methoxyphenyl)methyl]-4-(2-propen-1-yl)-4H-1,2,4-triazol-3-yl]thio]-N-tricyclo[3.3.1.13,7]dec-1-ylacetamide, N-(1-adamantyl)-2-[[5-[(4-methoxyphenyl)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
| Molecular Formula | C25H32N4O2S |
|---|---|
| Molecular Weight | 452.22 g/mol |
| LogP | 4.2406 |
| Topological Polar Surface Area | 69.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 452.2246 |
| Heavy Atoms | 32 |
| Complexity | 949.04395 |
Chemical Identifiers
| CAS Number | 879617-92-2 |
|---|---|
| SMILES | COC1=CC=C(C=C1)CC2=NN=C(N2CC=C)SCC(=O)NC34CC5CC(C3)CC(C5)C4 |
Product Overview
ASN 13389525 (CAS 879617-92-2), with molecular formula C25H32N4O2S and molecular weight 452.22 g/mol. IUPAC: N-(1-adamantyl)-2-[[5-[(4-methoxyphenyl)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of ASN 13389525
Property Insights of ASN 13389525
The XLogP value of 4.2406 indicates that ASN 13389525 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.04 Ų falls within the moderate polarity range, balancing permeability and solubility for ASN 13389525. Following Lipinski's Rule of Five, ASN 13389525 has 1 hydrogen bond donor(s) and 5 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 ASN 13389525?
The CAS number of ASN 13389525 is 879617-92-2.
What is the molecular formula of ASN 13389525?
The molecular formula of ASN 13389525 is C25H32N4O2S.
What is the molecular weight of ASN 13389525?
The molecular weight of ASN 13389525 is 452.22 g/mol.
Where can I buy ASN 13389525?
You can request a quote for ASN 13389525 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ASN 13389525?
Yes, KEHONG BIO provides custom synthesis services for ASN 13389525 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.