2-(Benzylamino)-3,4,5,6,7-pentahydroxyheptanenitrile
TL;DR: 2-(Benzylamino)-3,4,5,6,7-pentahydroxyheptanenitrile (CAS 210909-39-0) is a chemical compound with molecular formula C14H20N2O5 and molecular weight 296.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(benzylamino)-3,4,5,6,7-pentahydroxyheptanenitrile
Also Known As: 2-(benzylamino)-3,4,5,6,7-pentahydroxyheptanenitrile, 2-(benzylamino)-3,4,5,6,7-pentahydroxy-heptanenitrile, 2-(benzylamino)-3,4,5,6,7-pentahydroxyheptanenitrile(non-preferred name)
| Molecular Formula | C14H20N2O5 |
|---|---|
| Molecular Weight | 296.14 g/mol |
| LogP | -2.0 |
| Topological Polar Surface Area | 137.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 296.1372 |
| Heavy Atoms | 21 |
| Complexity | 340.0 |
Chemical Identifiers
| CAS Number | 210909-39-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNC(C#N)C(C(C(C(CO)O)O)O)O |
| InChIKey | BSKZKDYEPSUDKJ-UHFFFAOYSA-N |
Product Overview
2-(Benzylamino)-3,4,5,6,7-pentahydroxyheptanenitrile (CAS 210909-39-0), with molecular formula C14H20N2O5 and molecular weight 296.14 g/mol. IUPAC: 2-(benzylamino)-3,4,5,6,7-pentahydroxyheptanenitrile.
Chemical Property Profile of 2-(Benzylamino)-3,4,5,6,7-pentahydroxyheptanenitrile
Property Insights of 2-(Benzylamino)-3,4,5,6,7-pentahydroxyheptanenitrile
The XLogP value of -2.0 indicates that 2-(Benzylamino)-3,4,5,6,7-pentahydroxyheptanenitrile is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 137.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Benzylamino)-3,4,5,6,7-pentahydroxyheptanenitrile. Following Lipinski's Rule of Five, 2-(Benzylamino)-3,4,5,6,7-pentahydroxyheptanenitrile has 6 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(Benzylamino)-3,4,5,6,7-pentahydroxyheptanenitrile?
The CAS number of 2-(Benzylamino)-3,4,5,6,7-pentahydroxyheptanenitrile is 210909-39-0.
What is the molecular formula of 2-(Benzylamino)-3,4,5,6,7-pentahydroxyheptanenitrile?
The molecular formula of 2-(Benzylamino)-3,4,5,6,7-pentahydroxyheptanenitrile is C14H20N2O5.
What is the molecular weight of 2-(Benzylamino)-3,4,5,6,7-pentahydroxyheptanenitrile?
The molecular weight of 2-(Benzylamino)-3,4,5,6,7-pentahydroxyheptanenitrile is 296.14 g/mol.
Where can I buy 2-(Benzylamino)-3,4,5,6,7-pentahydroxyheptanenitrile?
You can request a quote for 2-(Benzylamino)-3,4,5,6,7-pentahydroxyheptanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Benzylamino)-3,4,5,6,7-pentahydroxyheptanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(Benzylamino)-3,4,5,6,7-pentahydroxyheptanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.