RefChem:227751
TL;DR: RefChem:227751 (CAS 99901-02-7) is a chemical compound with molecular formula C13H20N3NaO5 and molecular weight 321.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
sodium;methanolate;methyl 3-(aziridin-1-yl)propanoate;3-nitroaniline
Also Known As: 1-Aziridinepropionic acid, methyl ester compd. with m-nitroaniline and methanol, sodium salt, 1-Aziridinepropanoic acid, methyl ester compd. with m-nitroaniline and sodium methoxide, sodium; methanolate; methyl 3-(aziridin-1-yl)propanoate; 3-nitroaniline, RefChem:227751
| Molecular Formula | C13H20N3NaO5 |
|---|---|
| Molecular Weight | 321.13 g/mol |
| LogP | -2.98 |
| Topological Polar Surface Area | 124.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 321.13007 |
| Heavy Atoms | 22 |
| Complexity | 244.0 |
Chemical Identifiers
| CAS Number | 99901-02-7 |
|---|---|
| SMILES | C[O-].COC(=O)CCN1CC1.C1=CC(=CC(=C1)[N+](=O)[O-])N.[Na+] |
| InChIKey | USYMQSMIXBPLTR-UHFFFAOYSA-N |
Product Overview
RefChem:227751 (CAS 99901-02-7), with molecular formula C13H20N3NaO5 and molecular weight 321.13 g/mol. IUPAC: sodium;methanolate;methyl 3-(aziridin-1-yl)propanoate;3-nitroaniline.
Chemical Property Profile of RefChem:227751
Property Insights of RefChem:227751
The XLogP value of -2.98 indicates that RefChem:227751 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:227751. Following Lipinski's Rule of Five, RefChem:227751 has 1 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 RefChem:227751?
The CAS number of RefChem:227751 is 99901-02-7.
What is the molecular formula of RefChem:227751?
The molecular formula of RefChem:227751 is C13H20N3NaO5.
What is the molecular weight of RefChem:227751?
The molecular weight of RefChem:227751 is 321.13 g/mol.
Where can I buy RefChem:227751?
You can request a quote for RefChem:227751 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:227751?
Yes, KEHONG BIO provides custom synthesis services for RefChem:227751 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.