2-imino-10-(3,4,5-trimethoxyphenyl)hexahydro-8a,3-(epoxymethano)chromene-3,4,4(4aH)-tricarbonitrile
TL;DR: 2-imino-10-(3,4,5-trimethoxyphenyl)hexahydro-8a,3-(epoxymethano)chromene-3,4,4(4aH)-tricarbonitrile (CAS 1023010-97-0) is a chemical compound with molecular formula C22H22N4O5 and molecular weight 422.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-imino-12-(3,4,5-trimethoxyphenyl)-10,11-dioxatricyclo[6.2.2.01,6]dodecane-7,7,8-tricarbonitrile
Also Known As: 2-imino-10-(3,4,5-trimethoxyphenyl)hexahydro-8a,3-(epoxymethano)chromene-3,4,4(4aH)-tricarbonitrile, 2-imino-10-(3,4,5-trimethoxyphenyl)tetrahydro-8a,3-(epoxymethano)chromene-3,4,4(2H,4aH)-tricarbonitrile
| Molecular Formula | C22H22N4O5 |
|---|---|
| Molecular Weight | 422.16 g/mol |
| LogP | 3.22121 |
| Topological Polar Surface Area | 141.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 422.15903 |
| Heavy Atoms | 31 |
| Complexity | 1028.1254 |
Chemical Identifiers
| CAS Number | 1023010-97-0 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C2C3(C(=N)OC4(O2)CCCCC4C3(C#N)C#N)C#N |
Product Overview
2-imino-10-(3,4,5-trimethoxyphenyl)hexahydro-8a,3-(epoxymethano)chromene-3,4,4(4aH)-tricarbonitrile (CAS 1023010-97-0), with molecular formula C22H22N4O5 and molecular weight 422.16 g/mol. IUPAC: 9-imino-12-(3,4,5-trimethoxyphenyl)-10,11-dioxatricyclo[6.2.2.01,6]dodecane-7,7,8-tricarbonitrile.
Chemical Property Profile of 2-imino-10-(3,4,5-trimethoxyphenyl)hexahydro-8a,3-(epoxymethano)chromene-3,4,4(4aH)-tricarbonitrile
Property Insights of 2-imino-10-(3,4,5-trimethoxyphenyl)hexahydro-8a,3-(epoxymethano)chromene-3,4,4(4aH)-tricarbonitrile
The XLogP value of 3.22121 indicates that 2-imino-10-(3,4,5-trimethoxyphenyl)hexahydro-8a,3-(epoxymethano)chromene-3,4,4(4aH)-tricarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 141.37 Ų indicates high polarity, suggesting 2-imino-10-(3,4,5-trimethoxyphenyl)hexahydro-8a,3-(epoxymethano)chromene-3,4,4(4aH)-tricarbonitrile may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-imino-10-(3,4,5-trimethoxyphenyl)hexahydro-8a,3-(epoxymethano)chromene-3,4,4(4aH)-tricarbonitrile has 1 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-imino-10-(3,4,5-trimethoxyphenyl)hexahydro-8a,3-(epoxymethano)chromene-3,4,4(4aH)-tricarbonitrile?
The CAS number of 2-imino-10-(3,4,5-trimethoxyphenyl)hexahydro-8a,3-(epoxymethano)chromene-3,4,4(4aH)-tricarbonitrile is 1023010-97-0.
What is the molecular formula of 2-imino-10-(3,4,5-trimethoxyphenyl)hexahydro-8a,3-(epoxymethano)chromene-3,4,4(4aH)-tricarbonitrile?
The molecular formula of 2-imino-10-(3,4,5-trimethoxyphenyl)hexahydro-8a,3-(epoxymethano)chromene-3,4,4(4aH)-tricarbonitrile is C22H22N4O5.
What is the molecular weight of 2-imino-10-(3,4,5-trimethoxyphenyl)hexahydro-8a,3-(epoxymethano)chromene-3,4,4(4aH)-tricarbonitrile?
The molecular weight of 2-imino-10-(3,4,5-trimethoxyphenyl)hexahydro-8a,3-(epoxymethano)chromene-3,4,4(4aH)-tricarbonitrile is 422.16 g/mol.
Where can I buy 2-imino-10-(3,4,5-trimethoxyphenyl)hexahydro-8a,3-(epoxymethano)chromene-3,4,4(4aH)-tricarbonitrile?
You can request a quote for 2-imino-10-(3,4,5-trimethoxyphenyl)hexahydro-8a,3-(epoxymethano)chromene-3,4,4(4aH)-tricarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-imino-10-(3,4,5-trimethoxyphenyl)hexahydro-8a,3-(epoxymethano)chromene-3,4,4(4aH)-tricarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-imino-10-(3,4,5-trimethoxyphenyl)hexahydro-8a,3-(epoxymethano)chromene-3,4,4(4aH)-tricarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.