N-(2-Carboxyethyl)1-desoxinojirimycin
TL;DR: N-(2-Carboxyethyl)1-desoxinojirimycin (CAS 78013-18-0) is a chemical compound with molecular formula C9H17NO6 and molecular weight 235.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]propanoic acid
Also Known As: N-(2-Carboxyethyl)1-desoxinojirimycin, 3-[3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]propanoic acid, (2R,3R,4R,5S)-3,4,5-Trihydroxy-2-(hydroxymethyl)-1-piperidinepropanoic acid, 3-[3,4,5-Trihydroxy-2-(hydroxymethyl)-1-piperidinyl]propanoic acid #, 1-Piperidinepropanoic acid, 3,4,5-trihydroxy-2-(hydroxymethyl)-, (2R,3R,4R,5S)-
| Molecular Formula | C9H17NO6 |
|---|---|
| Molecular Weight | 235.11 g/mol |
| LogP | -4.7 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 235.10559 |
| Heavy Atoms | 16 |
| Complexity | 248.0 |
Chemical Identifiers
| CAS Number | 78013-18-0 |
|---|---|
| SMILES | C1C(C(C(C(N1CCC(=O)O)CO)O)O)O |
| InChIKey | PCGAKBVRSMMXCR-UHFFFAOYSA-N |
Product Overview
N-(2-Carboxyethyl)1-desoxinojirimycin (CAS 78013-18-0), with molecular formula C9H17NO6 and molecular weight 235.11 g/mol. IUPAC: 3-[3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]propanoic acid.
Chemical Property Profile of N-(2-Carboxyethyl)1-desoxinojirimycin
Property Insights of N-(2-Carboxyethyl)1-desoxinojirimycin
The XLogP value of -4.7 indicates that N-(2-Carboxyethyl)1-desoxinojirimycin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-Carboxyethyl)1-desoxinojirimycin. Following Lipinski's Rule of Five, N-(2-Carboxyethyl)1-desoxinojirimycin has 5 hydrogen bond donor(s) and 7 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 N-(2-Carboxyethyl)1-desoxinojirimycin?
The CAS number of N-(2-Carboxyethyl)1-desoxinojirimycin is 78013-18-0.
What is the molecular formula of N-(2-Carboxyethyl)1-desoxinojirimycin?
The molecular formula of N-(2-Carboxyethyl)1-desoxinojirimycin is C9H17NO6.
What is the molecular weight of N-(2-Carboxyethyl)1-desoxinojirimycin?
The molecular weight of N-(2-Carboxyethyl)1-desoxinojirimycin is 235.11 g/mol.
Where can I buy N-(2-Carboxyethyl)1-desoxinojirimycin?
You can request a quote for N-(2-Carboxyethyl)1-desoxinojirimycin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-Carboxyethyl)1-desoxinojirimycin?
Yes, KEHONG BIO provides custom synthesis services for N-(2-Carboxyethyl)1-desoxinojirimycin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.