![2,6-diamino-4-(6'-methoxytetrahydrospiro[cyclohexane-1,2'-furo[2,3-d][1,3]dioxol]-5'-yl)-4H-thiopyran-3,5-dicarbonitrile structure](/static/products/117/1174430-07-9.png)
2,6-diamino-4-(6'-methoxytetrahydrospiro[cyclohexane-1,2'-furo[2,3-d][1,3]dioxol]-5'-yl)-4H-thiopyran-3,5-dicarbonitrile
TL;DR: 2,6-diamino-4-(6'-methoxytetrahydrospiro[cyclohexane-1,2'-furo[2,3-d][1,3]dioxol]-5'-yl)-4H-thiopyran-3,5-dicarbonitrile (CAS 1174430-07-9) is a chemical compound with molecular formula C18H22N4O4S and molecular weight 390.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,6-diamino-4-(6-methoxyspiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane]-5-yl)-4H-thiopyran-3,5-dicarbonitrile
Also Known As: 2,6-diamino-4-(6'-methoxytetrahydrospiro[cyclohexane-1,2'-furo[2,3-d][1,3]dioxol]-5'-yl)-4H-thiopyran-3,5-dicarbonitrile, 2,6-diamino-4-(6-methoxyspiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane]-5-yl)-4H-thiopyran-3,5-dicarbonitrile
| Molecular Formula | C18H22N4O4S |
|---|---|
| Molecular Weight | 390.14 g/mol |
| LogP | 1.55286 |
| Topological Polar Surface Area | 136.54 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 2 |
| Exact Mass | 390.13617 |
| Heavy Atoms | 27 |
| Complexity | 741.21155 |
Chemical Identifiers
| CAS Number | 1174430-07-9 |
|---|---|
| SMILES | COC1C(OC2C1OC3(O2)CCCCC3)C4C(=C(SC(=C4C#N)N)N)C#N |
Product Overview
2,6-diamino-4-(6'-methoxytetrahydrospiro[cyclohexane-1,2'-furo[2,3-d][1,3]dioxol]-5'-yl)-4H-thiopyran-3,5-dicarbonitrile (CAS 1174430-07-9), with molecular formula C18H22N4O4S and molecular weight 390.14 g/mol. IUPAC: 2,6-diamino-4-(6-methoxyspiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane]-5-yl)-4H-thiopyran-3,5-dicarbonitrile.
Chemical Property Profile of 2,6-diamino-4-(6'-methoxytetrahydrospiro[cyclohexane-1,2'-furo[2,3-d][1,3]dioxol]-5'-yl)-4H-thiopyran-3,5-dicarbonitrile
Property Insights of 2,6-diamino-4-(6'-methoxytetrahydrospiro[cyclohexane-1,2'-furo[2,3-d][1,3]dioxol]-5'-yl)-4H-thiopyran-3,5-dicarbonitrile
The XLogP value of 1.55286 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,6-diamino-4-(6'-methoxytetrahydrospiro[cyclohexane-1,2'-furo[2,3-d][1,3]dioxol]-5'-yl)-4H-thiopyran-3,5-dicarbonitrile. The TPSA of 136.54 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,6-diamino-4-(6'-methoxytetrahydrospiro[cyclohexane-1,2'-furo[2,3-d][1,3]dioxol]-5'-yl)-4H-thiopyran-3,5-dicarbonitrile. Following Lipinski's Rule of Five, 2,6-diamino-4-(6'-methoxytetrahydrospiro[cyclohexane-1,2'-furo[2,3-d][1,3]dioxol]-5'-yl)-4H-thiopyran-3,5-dicarbonitrile has 2 hydrogen bond donor(s) and 9 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 2,6-diamino-4-(6'-methoxytetrahydrospiro[cyclohexane-1,2'-furo[2,3-d][1,3]dioxol]-5'-yl)-4H-thiopyran-3,5-dicarbonitrile?
The CAS number of 2,6-diamino-4-(6'-methoxytetrahydrospiro[cyclohexane-1,2'-furo[2,3-d][1,3]dioxol]-5'-yl)-4H-thiopyran-3,5-dicarbonitrile is 1174430-07-9.
What is the molecular formula of 2,6-diamino-4-(6'-methoxytetrahydrospiro[cyclohexane-1,2'-furo[2,3-d][1,3]dioxol]-5'-yl)-4H-thiopyran-3,5-dicarbonitrile?
The molecular formula of 2,6-diamino-4-(6'-methoxytetrahydrospiro[cyclohexane-1,2'-furo[2,3-d][1,3]dioxol]-5'-yl)-4H-thiopyran-3,5-dicarbonitrile is C18H22N4O4S.
What is the molecular weight of 2,6-diamino-4-(6'-methoxytetrahydrospiro[cyclohexane-1,2'-furo[2,3-d][1,3]dioxol]-5'-yl)-4H-thiopyran-3,5-dicarbonitrile?
The molecular weight of 2,6-diamino-4-(6'-methoxytetrahydrospiro[cyclohexane-1,2'-furo[2,3-d][1,3]dioxol]-5'-yl)-4H-thiopyran-3,5-dicarbonitrile is 390.14 g/mol.
Where can I buy 2,6-diamino-4-(6'-methoxytetrahydrospiro[cyclohexane-1,2'-furo[2,3-d][1,3]dioxol]-5'-yl)-4H-thiopyran-3,5-dicarbonitrile?
You can request a quote for 2,6-diamino-4-(6'-methoxytetrahydrospiro[cyclohexane-1,2'-furo[2,3-d][1,3]dioxol]-5'-yl)-4H-thiopyran-3,5-dicarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,6-diamino-4-(6'-methoxytetrahydrospiro[cyclohexane-1,2'-furo[2,3-d][1,3]dioxol]-5'-yl)-4H-thiopyran-3,5-dicarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2,6-diamino-4-(6'-methoxytetrahydrospiro[cyclohexane-1,2'-furo[2,3-d][1,3]dioxol]-5'-yl)-4H-thiopyran-3,5-dicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.