1-aziridinepropionic acid, methyl ester, benzoate (salt)
TL;DR: 1-aziridinepropionic acid, methyl ester, benzoate (salt) (CAS 99901-01-6) is a chemical compound with molecular formula C13H17NO4 and molecular weight 251.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(aziridin-1-ium-1-yl)propanoate benzoate
Also Known As: 1-AZIRIDINEPROPIONIC ACID, METHYL ESTER, BENZOATE (salt), 1-Aziridinepropanoic acid, methyl ester, benzoate (salt), Propionic acid, 3-(1-aziridinyl)-, methyl ester, benzoate (salt), methyl 3-(aziridin-1-ium-1-yl)propanoate benzoate, 1-(3-METHOXY-3-OXOPROPYL)AZIRIDIN-1-IUM BENZOATE
| Molecular Formula | C13H17NO4 |
|---|---|
| Molecular Weight | 251.12 g/mol |
| LogP | -1.5 |
| Topological Polar Surface Area | 70.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 251.11575 |
| Heavy Atoms | 18 |
| Complexity | 208.0 |
Chemical Identifiers
| CAS Number | 99901-01-6 |
|---|---|
| SMILES | COC(=O)CC[NH+]1CC1.C1=CC=C(C=C1)C(=O)[O-] |
| InChIKey | AAYZBNVRDPCMBF-UHFFFAOYSA-N |
Product Overview
1-aziridinepropionic acid, methyl ester, benzoate (salt) (CAS 99901-01-6), with molecular formula C13H17NO4 and molecular weight 251.12 g/mol. IUPAC: methyl 3-(aziridin-1-ium-1-yl)propanoate benzoate.
Chemical Property Profile of 1-aziridinepropionic acid, methyl ester, benzoate (salt)
Property Insights of 1-aziridinepropionic acid, methyl ester, benzoate (salt)
The XLogP value of -1.5 indicates that 1-aziridinepropionic acid, methyl ester, benzoate (salt) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 70.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-aziridinepropionic acid, methyl ester, benzoate (salt). Following Lipinski's Rule of Five, 1-aziridinepropionic acid, methyl ester, benzoate (salt) has 1 hydrogen bond donor(s) and 4 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 1-aziridinepropionic acid, methyl ester, benzoate (salt)?
The CAS number of 1-aziridinepropionic acid, methyl ester, benzoate (salt) is 99901-01-6.
What is the molecular formula of 1-aziridinepropionic acid, methyl ester, benzoate (salt)?
The molecular formula of 1-aziridinepropionic acid, methyl ester, benzoate (salt) is C13H17NO4.
What is the molecular weight of 1-aziridinepropionic acid, methyl ester, benzoate (salt)?
The molecular weight of 1-aziridinepropionic acid, methyl ester, benzoate (salt) is 251.12 g/mol.
Where can I buy 1-aziridinepropionic acid, methyl ester, benzoate (salt)?
You can request a quote for 1-aziridinepropionic acid, methyl ester, benzoate (salt) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-aziridinepropionic acid, methyl ester, benzoate (salt)?
Yes, KEHONG BIO provides custom synthesis services for 1-aziridinepropionic acid, methyl ester, benzoate (salt) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.