7-Diaethylamino-heptannitril
TL;DR: 7-Diaethylamino-heptannitril (CAS 6066-95-1) is a chemical compound with molecular formula C24H23BrN2O3S and molecular weight 498.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-bromobenzoyl)amino]-N-(2-ethoxyphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Also Known As: 7-Diaethylamino-heptannitril, BIM-0044155.P001, 2-[(2-bromobenzoyl)amino]-N-(2-ethoxyphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, 2-(2-BROMOBENZAMIDO)-N-(2-ETHOXYPHENYL)-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXAMIDE, {2-[(2-bromophenyl)carbonylamino](4,5,6,7-tetrahydrobenzo[b]thiophen-3-yl)}-N- (2-ethoxyphenyl)carboxamide
| Molecular Formula | C24H23BrN2O3S |
|---|---|
| Molecular Weight | 498.06 g/mol |
| LogP | 6.2927 |
| Topological Polar Surface Area | 67.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 498.06128 |
| Heavy Atoms | 31 |
| Complexity | 1125.7622 |
Chemical Identifiers
| CAS Number | 6066-95-1 |
|---|---|
| SMILES | CCOC1=CC=CC=C1NC(=O)C2=C(SC3=C2CCCC3)NC(=O)C4=CC=CC=C4Br |
Product Overview
7-Diaethylamino-heptannitril (CAS 6066-95-1), with molecular formula C24H23BrN2O3S and molecular weight 498.06 g/mol. IUPAC: 2-[(2-bromobenzoyl)amino]-N-(2-ethoxyphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
Chemical Property Profile of 7-Diaethylamino-heptannitril
Property Insights of 7-Diaethylamino-heptannitril
The XLogP value of 6.2927 indicates that 7-Diaethylamino-heptannitril is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.43 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-Diaethylamino-heptannitril. Following Lipinski's Rule of Five, 7-Diaethylamino-heptannitril has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 7-Diaethylamino-heptannitril?
The CAS number of 7-Diaethylamino-heptannitril is 6066-95-1.
What is the molecular formula of 7-Diaethylamino-heptannitril?
The molecular formula of 7-Diaethylamino-heptannitril is C24H23BrN2O3S.
What is the molecular weight of 7-Diaethylamino-heptannitril?
The molecular weight of 7-Diaethylamino-heptannitril is 498.06 g/mol.
Where can I buy 7-Diaethylamino-heptannitril?
You can request a quote for 7-Diaethylamino-heptannitril directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Diaethylamino-heptannitril?
Yes, KEHONG BIO provides custom synthesis services for 7-Diaethylamino-heptannitril and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.