AO-080/41039320
TL;DR: AO-080/41039320 (CAS 497837-41-9) is a chemical compound with molecular formula C21H28N6O3S and molecular weight 444.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(1-adamantyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)acetamide
Also Known As: AO-080/41039320, 2-[[5-(1-adamantyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)acetamide, 2-{[5-(1-adamantyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinyl)acetamide, 2-{[5-(1-adamantyl)-4-methyl-4H-1,2,4-triazol-3-yl]thio}-N-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)acetamide, N-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)-2-{[4-methyl-5-(tricyclo[3.3.1.1~3,7~]dec-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
| Molecular Formula | C21H28N6O3S |
|---|---|
| Molecular Weight | 444.19 g/mol |
| LogP | 1.4111 |
| Topological Polar Surface Area | 103.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 444.19437 |
| Heavy Atoms | 31 |
| Complexity | 1127.5563 |
Chemical Identifiers
| CAS Number | 497837-41-9 |
|---|---|
| SMILES | CN1C(=CC(=O)N(C1=O)C)NC(=O)CSC2=NN=C(N2C)C34CC5CC(C3)CC(C5)C4 |
Product Overview
AO-080/41039320 (CAS 497837-41-9), with molecular formula C21H28N6O3S and molecular weight 444.19 g/mol. IUPAC: 2-[[5-(1-adamantyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)acetamide.
Chemical Property Profile of AO-080/41039320
Property Insights of AO-080/41039320
The XLogP value of 1.4111 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AO-080/41039320. The TPSA of 103.81 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-080/41039320. Following Lipinski's Rule of Five, AO-080/41039320 has 1 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 AO-080/41039320?
The CAS number of AO-080/41039320 is 497837-41-9.
What is the molecular formula of AO-080/41039320?
The molecular formula of AO-080/41039320 is C21H28N6O3S.
What is the molecular weight of AO-080/41039320?
The molecular weight of AO-080/41039320 is 444.19 g/mol.
Where can I buy AO-080/41039320?
You can request a quote for AO-080/41039320 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-080/41039320?
Yes, KEHONG BIO provides custom synthesis services for AO-080/41039320 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.