2-(Benzylamino)-3,4,5,6-tetrahydroxyhexanenitrile
TL;DR: 2-(Benzylamino)-3,4,5,6-tetrahydroxyhexanenitrile (CAS 6329-49-3) is a chemical compound with molecular formula C13H18N2O4 and molecular weight 266.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(benzylamino)-3,4,5,6-tetrahydroxyhexanenitrile
Also Known As: N-Benzyl-L-glucosaminsaeure-nitril, 2-(benzylamino)-3,4,5,6-tetrahydroxy-hexanenitrile, 2-(benzylamino)-3,4,5,6-tetrahydroxyhexanenitrile, 2-(benzylamino)-3,4,5,6-tetrahydroxyhexanenitrile(non-preferred name)
| Molecular Formula | C13H18N2O4 |
|---|---|
| Molecular Weight | 266.13 g/mol |
| LogP | -1.4 |
| Topological Polar Surface Area | 117.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 266.12665 |
| Heavy Atoms | 19 |
| Complexity | 298.0 |
Chemical Identifiers
| CAS Number | 6329-49-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNC(C#N)C(C(C(CO)O)O)O |
| InChIKey | GAIBNWDSTFNIAW-UHFFFAOYSA-N |
Product Overview
2-(Benzylamino)-3,4,5,6-tetrahydroxyhexanenitrile (CAS 6329-49-3), with molecular formula C13H18N2O4 and molecular weight 266.13 g/mol. IUPAC: 2-(benzylamino)-3,4,5,6-tetrahydroxyhexanenitrile.
Chemical Property Profile of 2-(Benzylamino)-3,4,5,6-tetrahydroxyhexanenitrile
Property Insights of 2-(Benzylamino)-3,4,5,6-tetrahydroxyhexanenitrile
The XLogP value of -1.4 indicates that 2-(Benzylamino)-3,4,5,6-tetrahydroxyhexanenitrile is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Benzylamino)-3,4,5,6-tetrahydroxyhexanenitrile. Following Lipinski's Rule of Five, 2-(Benzylamino)-3,4,5,6-tetrahydroxyhexanenitrile has 5 hydrogen bond donor(s) and 6 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-(Benzylamino)-3,4,5,6-tetrahydroxyhexanenitrile?
The CAS number of 2-(Benzylamino)-3,4,5,6-tetrahydroxyhexanenitrile is 6329-49-3.
What is the molecular formula of 2-(Benzylamino)-3,4,5,6-tetrahydroxyhexanenitrile?
The molecular formula of 2-(Benzylamino)-3,4,5,6-tetrahydroxyhexanenitrile is C13H18N2O4.
What is the molecular weight of 2-(Benzylamino)-3,4,5,6-tetrahydroxyhexanenitrile?
The molecular weight of 2-(Benzylamino)-3,4,5,6-tetrahydroxyhexanenitrile is 266.13 g/mol.
Where can I buy 2-(Benzylamino)-3,4,5,6-tetrahydroxyhexanenitrile?
You can request a quote for 2-(Benzylamino)-3,4,5,6-tetrahydroxyhexanenitrile 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-tetrahydroxyhexanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(Benzylamino)-3,4,5,6-tetrahydroxyhexanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.