2-(Fluoromethyl)dehydroornithine methyl ester
TL;DR: 2-(Fluoromethyl)dehydroornithine methyl ester (CAS 101365-14-4) is a chemical compound with molecular formula C7H13FN2O2 and molecular weight 176.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (E)-2,5-diamino-2-(fluoromethyl)pent-3-enoate
Also Known As: MFMOme, Mdl 72403, 2-(Fluoromethyl)dehydroornithine methyl ester, alpha-Monofluoromethyldehydroornithine methyl ester, Methyl, 2-fluoromethyl-2,5-diamino-3-pentenoate
| Molecular Formula | C7H13FN2O2 |
|---|---|
| Molecular Weight | 176.10 g/mol |
| LogP | -0.6587 |
| Topological Polar Surface Area | 78.34 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 176.0961 |
| Heavy Atoms | 12 |
| Complexity | 184.2452 |
Chemical Identifiers
| CAS Number | 101365-14-4 |
|---|---|
| SMILES | COC(=O)C(CF)(/C=C/CN)N |
Product Overview
2-(Fluoromethyl)dehydroornithine methyl ester (CAS 101365-14-4), with molecular formula C7H13FN2O2 and molecular weight 176.10 g/mol. IUPAC: methyl (E)-2,5-diamino-2-(fluoromethyl)pent-3-enoate.
Chemical Property Profile of 2-(Fluoromethyl)dehydroornithine methyl ester
Property Insights of 2-(Fluoromethyl)dehydroornithine methyl ester
The XLogP value of -0.6587 indicates that 2-(Fluoromethyl)dehydroornithine methyl ester is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 78.34 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Fluoromethyl)dehydroornithine methyl ester. Following Lipinski's Rule of Five, 2-(Fluoromethyl)dehydroornithine methyl ester has 2 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 2-(Fluoromethyl)dehydroornithine methyl ester?
The CAS number of 2-(Fluoromethyl)dehydroornithine methyl ester is 101365-14-4.
What is the molecular formula of 2-(Fluoromethyl)dehydroornithine methyl ester?
The molecular formula of 2-(Fluoromethyl)dehydroornithine methyl ester is C7H13FN2O2.
What is the molecular weight of 2-(Fluoromethyl)dehydroornithine methyl ester?
The molecular weight of 2-(Fluoromethyl)dehydroornithine methyl ester is 176.10 g/mol.
Where can I buy 2-(Fluoromethyl)dehydroornithine methyl ester?
You can request a quote for 2-(Fluoromethyl)dehydroornithine methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Fluoromethyl)dehydroornithine methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-(Fluoromethyl)dehydroornithine methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.