RefChem:328926
TL;DR: RefChem:328926 (CAS 15499-10-2) is a chemical compound with molecular formula C22H32N2O10 and molecular weight 484.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-carboxy-4-hydroxy-3-(hydroxymethyl)-4-oxobutanoate;diethyl-[2-[3-[(7-oxocyclohepta-1,3,5-trien-1-yl)amino]propanoyloxy]ethyl]azanium
Also Known As: beta-Alanine, N-(7-oxo-1,3,5-cycloheptatrien-1-yl)-, 2-(diethylamino)ethyl ester, citrate (1:1), N-(7-Oxo-1,3,5-cycloheptatrien-1-yl)-beta-alanine 2-(diethylamino)ethyl ester citrate, beta-ALANINE, N-(7-OXO-1,3,5-CYCLOHEPTATRIEN-1-YL)-, 2-(DIETHYLAMINO)ETHYL ESTER, 3-carboxy-4-hydroxy-3-(hydroxymethyl)-4-oxobutanoate; diethyl-[2-[3-[(7-oxocyclohepta-1,3,5-trien-1-yl)amino]propanoyloxy]ethyl]azanium, N,N-Diethyl-2-{[N-(7-oxocyclohepta-1,3,5-trien-1-yl)-beta-alanyl]oxy}ethan-1-aminium 3,3-dicarboxy-4-hydroxybutanoate
| Molecular Formula | C22H32N2O10 |
|---|---|
| Molecular Weight | 484.21 g/mol |
| LogP | -2.41 |
| Topological Polar Surface Area | 195.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 14 |
| Exact Mass | 484.2057 |
| Heavy Atoms | 34 |
| Complexity | 659.0 |
Chemical Identifiers
| CAS Number | 15499-10-2 |
|---|---|
| SMILES | CC[NH+](CC)CCOC(=O)CCNC1=CC=CC=CC1=O.C(C(=O)[O-])C(CO)(C(=O)O)C(=O)O |
| InChIKey | WIZMSHHZGYYWOE-UHFFFAOYSA-N |
Product Overview
RefChem:328926 (CAS 15499-10-2), with molecular formula C22H32N2O10 and molecular weight 484.21 g/mol. IUPAC: 3-carboxy-4-hydroxy-3-(hydroxymethyl)-4-oxobutanoate;diethyl-[2-[3-[(7-oxocyclohepta-1,3,5-trien-1-yl)amino]propanoyloxy]ethyl]azanium.
Chemical Property Profile of RefChem:328926
Property Insights of RefChem:328926
The XLogP value of -2.41 indicates that RefChem:328926 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 195.0 Ų indicates high polarity, suggesting RefChem:328926 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:328926 has 5 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:328926?
The CAS number of RefChem:328926 is 15499-10-2.
What is the molecular formula of RefChem:328926?
The molecular formula of RefChem:328926 is C22H32N2O10.
What is the molecular weight of RefChem:328926?
The molecular weight of RefChem:328926 is 484.21 g/mol.
Where can I buy RefChem:328926?
You can request a quote for RefChem:328926 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:328926?
Yes, KEHONG BIO provides custom synthesis services for RefChem:328926 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.