3-Pentenoic acid, 2,5-diamino-2-(fluoromethyl)-, methyl ester, (E)-
TL;DR: 3-Pentenoic acid, 2,5-diamino-2-(fluoromethyl)-, methyl ester, (E)- (CAS 96681-91-3) is a chemical compound with molecular formula COC(=O)C(CF)(C=CCN)N and molecular weight 176.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2,5-diamino-2-(fluoromethyl)pent-3-enoate
Also Known As: MFMOme, alpha-Monofluoromethyldehydroornithine methyl ester, methyl 2,5-diamino-2-(fluoromethyl)pent-3-enoate, Methyl, 2-fluoromethyl-2,5-diamino-3-pentenoate, 3-Pentenoic acid, 2,5-diamino-2-(fluoromethyl)-, methyl ester, (E)-
| Molecular Formula | COC(=O)C(CF)(C=CCN)N |
|---|---|
| Molecular Weight | 176.10 g/mol |
| LogP | -1.1 |
| Topological Polar Surface Area | 78.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 176.0961 |
| Heavy Atoms | 12 |
| Complexity | 184.0 |
Chemical Identifiers
| CAS Number | 96681-91-3 |
|---|---|
| SMILES | COC(=O)C(CF)(C=CCN)N |
| InChIKey | KIQXCFBLXGRXPY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Pentenoic acid, 2,5-diamino-2-(fluoromethyl)-, methyl ester, (E)- (CAS 96681-91-3), with molecular formula COC(=O)C(CF)(C=CCN)N and molecular weight 176.10 g/mol. IUPAC: methyl 2,5-diamino-2-(fluoromethyl)pent-3-enoate.
Chemical Property Profile of 3-Pentenoic acid, 2,5-diamino-2-(fluoromethyl)-, methyl ester, (E)-
Property Insights of 3-Pentenoic acid, 2,5-diamino-2-(fluoromethyl)-, methyl ester, (E)-
The XLogP value of -1.1 indicates that 3-Pentenoic acid, 2,5-diamino-2-(fluoromethyl)-, methyl ester, (E)- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 78.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Pentenoic acid, 2,5-diamino-2-(fluoromethyl)-, methyl ester, (E)-. Following Lipinski's Rule of Five, 3-Pentenoic acid, 2,5-diamino-2-(fluoromethyl)-, methyl ester, (E)- has 2 hydrogen bond donor(s) and 5 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 3-Pentenoic acid, 2,5-diamino-2-(fluoromethyl)-, methyl ester, (E)-?
The CAS number of 3-Pentenoic acid, 2,5-diamino-2-(fluoromethyl)-, methyl ester, (E)- is 96681-91-3.
What is the molecular formula of 3-Pentenoic acid, 2,5-diamino-2-(fluoromethyl)-, methyl ester, (E)-?
The molecular formula of 3-Pentenoic acid, 2,5-diamino-2-(fluoromethyl)-, methyl ester, (E)- is COC(=O)C(CF)(C=CCN)N.
What is the molecular weight of 3-Pentenoic acid, 2,5-diamino-2-(fluoromethyl)-, methyl ester, (E)-?
The molecular weight of 3-Pentenoic acid, 2,5-diamino-2-(fluoromethyl)-, methyl ester, (E)- is 176.10 g/mol.
Where can I buy 3-Pentenoic acid, 2,5-diamino-2-(fluoromethyl)-, methyl ester, (E)-?
You can request a quote for 3-Pentenoic acid, 2,5-diamino-2-(fluoromethyl)-, methyl ester, (E)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Pentenoic acid, 2,5-diamino-2-(fluoromethyl)-, methyl ester, (E)-?
Yes, KEHONG BIO provides custom synthesis services for 3-Pentenoic acid, 2,5-diamino-2-(fluoromethyl)-, methyl ester, (E)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.