A2580/0110018
TL;DR: A2580/0110018 (CAS 484050-06-8) is a chemical compound with molecular formula C18H15N5O2 and molecular weight 333.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-imino-12-pyridin-4-yl-10,11-dioxatricyclo[6.2.2.01,6]dodecane-7,7,8-tricarbonitrile
Also Known As: A2580/0110018, 2-imino-10-(pyridin-4-yl)hexahydro-8a,3-(epoxymethano)chromene-3,4,4(4aH)-tricarbonitrile, 2-IMINO-10-(4-PYRIDINYL)TETRAHYDRO-8A,3-(EPOXYMETHANO)CHROMENE-3,4,4(2H,4AH)-TRICARBONITRILE, 2-imino-10-(pyridin-4-yl)tetrahydro-8a,3-(epoxymethano)chromene-3,4,4(2H,4aH)-tricarbonitrile
| Molecular Formula | C18H15N5O2 |
|---|---|
| Molecular Weight | 333.12 g/mol |
| LogP | 2.59041 |
| Topological Polar Surface Area | 126.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 333.1226 |
| Heavy Atoms | 25 |
| Complexity | 850.1831 |
Chemical Identifiers
| CAS Number | 484050-06-8 |
|---|---|
| SMILES | C1CCC23C(C1)C(C(C(O2)C4=CC=NC=C4)(C(=N)O3)C#N)(C#N)C#N |
Product Overview
A2580/0110018 (CAS 484050-06-8), with molecular formula C18H15N5O2 and molecular weight 333.12 g/mol. IUPAC: 9-imino-12-pyridin-4-yl-10,11-dioxatricyclo[6.2.2.01,6]dodecane-7,7,8-tricarbonitrile.
Chemical Property Profile of A2580/0110018
Property Insights of A2580/0110018
The XLogP value of 2.59041 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A2580/0110018. The TPSA of 126.57 Ų falls within the moderate polarity range, balancing permeability and solubility for A2580/0110018. Following Lipinski's Rule of Five, A2580/0110018 has 1 hydrogen bond donor(s) and 7 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 A2580/0110018?
The CAS number of A2580/0110018 is 484050-06-8.
What is the molecular formula of A2580/0110018?
The molecular formula of A2580/0110018 is C18H15N5O2.
What is the molecular weight of A2580/0110018?
The molecular weight of A2580/0110018 is 333.12 g/mol.
Where can I buy A2580/0110018?
You can request a quote for A2580/0110018 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2580/0110018?
Yes, KEHONG BIO provides custom synthesis services for A2580/0110018 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.