Deoxypyridinoline
TL;DR: Deoxypyridinoline (CAS 90032-33-0) is a chemical compound with molecular formula C18H28N4O7 and molecular weight 412.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R)-2-amino-6-[4-[(2S)-2-amino-2-carboxyethyl]-3-[(3S)-3-amino-3-carboxypropyl]-5-hydroxypyridin-1-ium-1-yl]hexanoate
Also Known As: Deoxypyridinoline, Lysylpyridinoline, D-Pyrilinks, Deoxy Pyridinoline, (2R)-2-amino-6-[4-[(2S)-2-amino-2-carboxyethyl]-3-[(3S)-3-amino-3-carboxypropyl]-5-hydroxypyridin-1-ium-1-yl]hexanoate
| Molecular Formula | C18H28N4O7 |
|---|---|
| Molecular Weight | 412.20 g/mol |
| LogP | -7.6 |
| Topological Polar Surface Area | 217.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 12 |
| Exact Mass | 412.1958 |
| Heavy Atoms | 29 |
| Complexity | 557.0 |
Chemical Identifiers
| CAS Number | 90032-33-0 |
|---|---|
| SMILES | C1=C(C(=C(C=[N+]1CCCC[C@H](C(=O)[O-])N)O)C[C@@H](C(=O)O)N)CC[C@@H](C(=O)O)N |
| InChIKey | ZAHDXEIQWWLQQL-RDBSUJKOSA-N |
Product Overview
Deoxypyridinoline (CAS 90032-33-0), with molecular formula C18H28N4O7 and molecular weight 412.20 g/mol. IUPAC: (2R)-2-amino-6-[4-[(2S)-2-amino-2-carboxyethyl]-3-[(3S)-3-amino-3-carboxypropyl]-5-hydroxypyridin-1-ium-1-yl]hexanoate.
Chemical Property Profile of Deoxypyridinoline
Property Insights of Deoxypyridinoline
The XLogP value of -7.6 indicates that Deoxypyridinoline is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 217.0 Ų indicates high polarity, suggesting Deoxypyridinoline may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Deoxypyridinoline has 6 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 Deoxypyridinoline?
The CAS number of Deoxypyridinoline is 90032-33-0.
What is the molecular formula of Deoxypyridinoline?
The molecular formula of Deoxypyridinoline is C18H28N4O7.
What is the molecular weight of Deoxypyridinoline?
The molecular weight of Deoxypyridinoline is 412.20 g/mol.
Where can I buy Deoxypyridinoline?
You can request a quote for Deoxypyridinoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Deoxypyridinoline?
Yes, KEHONG BIO provides custom synthesis services for Deoxypyridinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.