![N,N-bis(2-cyanoethyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide structure](/static/products/587/587012-83-7.png)
N,N-bis(2-cyanoethyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide
TL;DR: N,N-bis(2-cyanoethyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide (CAS 587012-83-7) is a chemical compound with molecular formula C17H23N3O2 and molecular weight 301.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-bis(2-cyanoethyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide
Also Known As: N,N-bis(2-cyanoethyl)(4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptyl)carboxamide, N,N-bis(2-cyanoethyl)-1,7,7-trimethyl-2-oxobicyclo[2.2.1]heptane-4-carboxamide, N,N-bis(2-cyanoethyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide, (1R,4R)-N,N-BIS(2-CYANOETHYL)-4,7,7-TRIMETHYL-3-OXOBICYCLO[2.2.1]HEPTANE-1-CARBOXAMIDE, Opera_ID_532
| Molecular Formula | C17H23N3O2 |
|---|---|
| Molecular Weight | 301.18 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 85.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 301.17902 |
| Heavy Atoms | 22 |
| Complexity | 586.0 |
Chemical Identifiers
| CAS Number | 587012-83-7 |
|---|---|
| SMILES | CC1(C2(CCC1(CC2=O)C(=O)N(CCC#N)CCC#N)C)C |
| InChIKey | PGPHVRVGPJEETH-UHFFFAOYSA-N |
Product Overview
N,N-bis(2-cyanoethyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide (CAS 587012-83-7), with molecular formula C17H23N3O2 and molecular weight 301.18 g/mol. IUPAC: N,N-bis(2-cyanoethyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide.
Chemical Property Profile of N,N-bis(2-cyanoethyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide
Property Insights of N,N-bis(2-cyanoethyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N,N-bis(2-cyanoethyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide. The TPSA of 85.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N,N-bis(2-cyanoethyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide. Following Lipinski's Rule of Five, N,N-bis(2-cyanoethyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide has 0 hydrogen bond donor(s) and 4 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 N,N-bis(2-cyanoethyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide?
The CAS number of N,N-bis(2-cyanoethyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide is 587012-83-7.
What is the molecular formula of N,N-bis(2-cyanoethyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide?
The molecular formula of N,N-bis(2-cyanoethyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide is C17H23N3O2.
What is the molecular weight of N,N-bis(2-cyanoethyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide?
The molecular weight of N,N-bis(2-cyanoethyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide is 301.18 g/mol.
Where can I buy N,N-bis(2-cyanoethyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide?
You can request a quote for N,N-bis(2-cyanoethyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N-bis(2-cyanoethyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N,N-bis(2-cyanoethyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.