1-Deoxy-1-[[2-(3,4-dimethoxyphenyl)ethyl]amino]-D-glucitol structure

1-Deoxy-1-[[2-(3,4-dimethoxyphenyl)ethyl]amino]-D-glucitol

TL;DR: 1-Deoxy-1-[[2-(3,4-dimethoxyphenyl)ethyl]amino]-D-glucitol (CAS 129258-95-3) is a chemical compound with molecular formula C16H27NO7 and molecular weight 345.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.

6-[2-(3,4-dimethoxyphenyl)ethylamino]hexane-1,2,3,4,5-pentol

Also Known As: 1-Deoxy-1-[[2-(3,4-dimethoxyphenyl)ethyl]amino]-D-glucitol, 6-[2-(3,4-dimethoxyphenyl)ethylamino]hexane-1,2,3,4,5-pentol, AE-018/31866001, 6-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-1,2,3,4,5-hexanepentol

CAS: 129258-95-3
Molecular Formula C16H27NO7
Molecular Weight 345.18 g/mol
LogP -1.7282
Topological Polar Surface Area 131.64 Ų
Hydrogen Bond Donors 6
Hydrogen Bond Acceptors 8
Rotatable Bonds 11
Exact Mass 345.17874
Heavy Atoms 24
Complexity 485.49377

Chemical Identifiers

CAS Number 129258-95-3
SMILES COC1=C(C=C(C=C1)CCNCC(C(C(C(CO)O)O)O)O)OC

Product Overview

1-Deoxy-1-[[2-(3,4-dimethoxyphenyl)ethyl]amino]-D-glucitol (CAS 129258-95-3), with molecular formula C16H27NO7 and molecular weight 345.18 g/mol. IUPAC: 6-[2-(3,4-dimethoxyphenyl)ethylamino]hexane-1,2,3,4,5-pentol.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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Chemical Property Profile of 1-Deoxy-1-[[2-(3,4-dimethoxyphenyl)ethyl]amino]-D-glucitol

XLogP
-1.7282
TPSA (Topological Polar Surface Area)
131.64
Hydrogen Bond Donors
6
Hydrogen Bond Acceptors
8
Rotatable Bonds
11
Heavy Atoms
24
Complexity
485.49377
Exact Mass
345.17874
Monoisotopic Mass
345.17874
Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

Property Insights of 1-Deoxy-1-[[2-(3,4-dimethoxyphenyl)ethyl]amino]-D-glucitol

The XLogP value of -1.7282 indicates that 1-Deoxy-1-[[2-(3,4-dimethoxyphenyl)ethyl]amino]-D-glucitol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 131.64 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Deoxy-1-[[2-(3,4-dimethoxyphenyl)ethyl]amino]-D-glucitol. Following Lipinski's Rule of Five, 1-Deoxy-1-[[2-(3,4-dimethoxyphenyl)ethyl]amino]-D-glucitol has 6 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.

Frequently Asked Questions

What is the typical lead time for this product?
Lead time typically ranges from 3-7 business days for in-stock items. For larger quantities or custom orders, please contact us for specific lead times.
Can you provide samples for testing?
Yes, we offer sample quantities for quality testing. Please submit an inquiry with your requirements and we will arrange samples accordingly.
What documentation do you provide with the product?
We provide COA (Certificate of Analysis), MSDS (Material Safety Data Sheet), and technical data sheets with each shipment.
Do you ship internationally?
Yes, we ship to most countries worldwide. Shipping costs and delivery times vary by location. Please contact us for specific shipping information.

Frequently Asked Questions

What is the CAS number of 1-Deoxy-1-[[2-(3,4-dimethoxyphenyl)ethyl]amino]-D-glucitol?

The CAS number of 1-Deoxy-1-[[2-(3,4-dimethoxyphenyl)ethyl]amino]-D-glucitol is 129258-95-3.

What is the molecular formula of 1-Deoxy-1-[[2-(3,4-dimethoxyphenyl)ethyl]amino]-D-glucitol?

The molecular formula of 1-Deoxy-1-[[2-(3,4-dimethoxyphenyl)ethyl]amino]-D-glucitol is C16H27NO7.

What is the molecular weight of 1-Deoxy-1-[[2-(3,4-dimethoxyphenyl)ethyl]amino]-D-glucitol?

The molecular weight of 1-Deoxy-1-[[2-(3,4-dimethoxyphenyl)ethyl]amino]-D-glucitol is 345.18 g/mol.

Where can I buy 1-Deoxy-1-[[2-(3,4-dimethoxyphenyl)ethyl]amino]-D-glucitol?

You can request a quote for 1-Deoxy-1-[[2-(3,4-dimethoxyphenyl)ethyl]amino]-D-glucitol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.

Does KEHONG BIO offer custom synthesis for 1-Deoxy-1-[[2-(3,4-dimethoxyphenyl)ethyl]amino]-D-glucitol?

Yes, KEHONG BIO provides custom synthesis services for 1-Deoxy-1-[[2-(3,4-dimethoxyphenyl)ethyl]amino]-D-glucitol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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