A2603/0110596
TL;DR: A2603/0110596 (CAS 484641-35-2) is a chemical compound with molecular formula C17H14N4O2S and molecular weight 338.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-imino-12-thiophen-2-yl-10,11-dioxatricyclo[6.2.2.01,6]dodecane-7,7,8-tricarbonitrile
Also Known As: A2603/0110596, 9-imino-12-(2-thienyl)-10,11-dioxatricyclo[6.2.2.0~1,6~]dodecane-7,7,8-tricarbonitrile, 10,11-Dioxatricyclo[6.2.2.0(1,6)]dodecane-7,7,8-tricarbonitrile, 9-imino-12-thiophen-2-yl-, 2-IMINO-10-(2-THIENYL)TETRAHYDRO-8A,3-(EPOXYMETHANO)CHROMENE-3,4,4(2H,4AH)-TRICARBONITRILE, 2-imino-10-(thiophen-2-yl)hexahydro-8a,3-(epoxymethano)chromene-3,4,4(4aH)-tricarbonitrile
| Molecular Formula | C17H14N4O2S |
|---|---|
| Molecular Weight | 338.08 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 142.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 338.08374 |
| Heavy Atoms | 24 |
| Complexity | 738.0 |
Chemical Identifiers
| CAS Number | 484641-35-2 |
|---|---|
| SMILES | C1CCC23C(C1)C(C(C(O2)C4=CC=CS4)(C(=N)O3)C#N)(C#N)C#N |
| InChIKey | BVAZBPHICLDVKX-UHFFFAOYSA-N |
Product Overview
A2603/0110596 (CAS 484641-35-2), with molecular formula C17H14N4O2S and molecular weight 338.08 g/mol. IUPAC: 9-imino-12-thiophen-2-yl-10,11-dioxatricyclo[6.2.2.01,6]dodecane-7,7,8-tricarbonitrile.
Chemical Property Profile of A2603/0110596
Property Insights of A2603/0110596
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A2603/0110596. The TPSA of 142.0 Ų indicates high polarity, suggesting A2603/0110596 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, A2603/0110596 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 A2603/0110596?
The CAS number of A2603/0110596 is 484641-35-2.
What is the molecular formula of A2603/0110596?
The molecular formula of A2603/0110596 is C17H14N4O2S.
What is the molecular weight of A2603/0110596?
The molecular weight of A2603/0110596 is 338.08 g/mol.
Where can I buy A2603/0110596?
You can request a quote for A2603/0110596 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2603/0110596?
Yes, KEHONG BIO provides custom synthesis services for A2603/0110596 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.