N(epsilon)-(1-Deoxyfructos-1-yl)hippuryllysine
TL;DR: N(epsilon)-(1-Deoxyfructos-1-yl)hippuryllysine (CAS 139950-87-1) is a chemical compound with molecular formula C21H31N3O9 and molecular weight 469.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R)-2-[(2-benzamidoacetyl)amino]-6-[[(2R,3S,4R,5R)-2,3,4,5-tetrahydroxyoxan-2-yl]methylamino]hexanoic acid
Also Known As: NDFHL, N(epsilon)-(1-Deoxyfructos-1-yl)hippuryllysine, N(epsilon)-1-Deoxy-D-fructos-1-yl-hippuryl-lysine, (2R)-2-[(2-benzamidoacetyl)amino]-6-[[(2R,3S,4R,5R)-2,3,4,5-tetrahydroxyoxan-2-yl]methylamino]hexanoic acid, RefChem:160852
| Molecular Formula | C21H31N3O9 |
|---|---|
| Molecular Weight | 469.21 g/mol |
| LogP | -3.8 |
| Topological Polar Surface Area | 198.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 12 |
| Exact Mass | 469.20602 |
| Heavy Atoms | 33 |
| Complexity | 659.0 |
Chemical Identifiers
| CAS Number | 139950-87-1 |
|---|---|
| SMILES | C1[C@H]([C@H]([C@@H]([C@](O1)(CNCCCC[C@H](C(=O)O)NC(=O)CNC(=O)C2=CC=CC=C2)O)O)O)O |
| InChIKey | DJDWCZDCENIWRI-WEAZEUSYSA-N |
Product Overview
N(epsilon)-(1-Deoxyfructos-1-yl)hippuryllysine (CAS 139950-87-1), with molecular formula C21H31N3O9 and molecular weight 469.21 g/mol. IUPAC: (2R)-2-[(2-benzamidoacetyl)amino]-6-[[(2R,3S,4R,5R)-2,3,4,5-tetrahydroxyoxan-2-yl]methylamino]hexanoic acid.
Chemical Property Profile of N(epsilon)-(1-Deoxyfructos-1-yl)hippuryllysine
Property Insights of N(epsilon)-(1-Deoxyfructos-1-yl)hippuryllysine
The XLogP value of -3.8 indicates that N(epsilon)-(1-Deoxyfructos-1-yl)hippuryllysine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 198.0 Ų indicates high polarity, suggesting N(epsilon)-(1-Deoxyfructos-1-yl)hippuryllysine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N(epsilon)-(1-Deoxyfructos-1-yl)hippuryllysine has 8 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N(epsilon)-(1-Deoxyfructos-1-yl)hippuryllysine?
The CAS number of N(epsilon)-(1-Deoxyfructos-1-yl)hippuryllysine is 139950-87-1.
What is the molecular formula of N(epsilon)-(1-Deoxyfructos-1-yl)hippuryllysine?
The molecular formula of N(epsilon)-(1-Deoxyfructos-1-yl)hippuryllysine is C21H31N3O9.
What is the molecular weight of N(epsilon)-(1-Deoxyfructos-1-yl)hippuryllysine?
The molecular weight of N(epsilon)-(1-Deoxyfructos-1-yl)hippuryllysine is 469.21 g/mol.
Where can I buy N(epsilon)-(1-Deoxyfructos-1-yl)hippuryllysine?
You can request a quote for N(epsilon)-(1-Deoxyfructos-1-yl)hippuryllysine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N(epsilon)-(1-Deoxyfructos-1-yl)hippuryllysine?
Yes, KEHONG BIO provides custom synthesis services for N(epsilon)-(1-Deoxyfructos-1-yl)hippuryllysine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.