2,5-二氨基-2-(氟甲基)戊-3-烯酸
TL;DR: 2,5-二氨基-2-(氟甲基)戊-3-烯酸 (CAS 112295-65-5) is a chemical compound with molecular formula C6H11FN2O2 and molecular weight 162.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,5-二氨基-2-(氟甲基)戊-3-烯酸
2,5-diamino-2-(fluoromethyl)pent-3-enoic acid
Also Known As: 2,5-DIAMINO-2-(FLUOROMETHYL)PENT-3-ENOIC ACID, 3-Pentenoicacid,2,5-diamino-2-(fluoromethyl)-(9CI), 3-Pentenoicacid,2,5-diamino-2-(fluoromethyl)-,(-)-(9CI), (3E)-2,5-Diamino-2-(Fluoromethyl)-3-Pentenoic Acid, 3-Pentenoic acid, 2,5-diamino-2-(fluoromethyl)- (9CI)
| Molecular Formula | C6H11FN2O2 |
|---|---|
| Molecular Weight | 162.08 g/mol |
| LogP | -3.7 |
| Topological Polar Surface Area | 89.3 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 162.08046 |
| Heavy Atoms | 11 |
| Complexity | 172.0 |
Chemical Identifiers
| CAS Number | 112295-65-5 |
|---|---|
| SMILES | C(C=CC(CF)(C(=O)O)N)N |
| InChIKey | VZKIJNFPNWRGLM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,5-二氨基-2-(氟甲基)戊-3-烯酸 (CAS 112295-65-5), with molecular formula C6H11FN2O2 and molecular weight 162.08 g/mol. IUPAC: 2,5-diamino-2-(fluoromethyl)pent-3-enoic acid.
Chemical Property Profile of 2,5-二氨基-2-(氟甲基)戊-3-烯酸
Property Insights of 2,5-二氨基-2-(氟甲基)戊-3-烯酸
The XLogP value of -3.7 indicates that 2,5-二氨基-2-(氟甲基)戊-3-烯酸 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 89.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,5-二氨基-2-(氟甲基)戊-3-烯酸. Following Lipinski's Rule of Five, 2,5-二氨基-2-(氟甲基)戊-3-烯酸 has 3 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 2,5-二氨基-2-(氟甲基)戊-3-烯酸?
The CAS number of 2,5-二氨基-2-(氟甲基)戊-3-烯酸 is 112295-65-5.
What is the molecular formula of 2,5-二氨基-2-(氟甲基)戊-3-烯酸?
The molecular formula of 2,5-二氨基-2-(氟甲基)戊-3-烯酸 is C6H11FN2O2.
What is the molecular weight of 2,5-二氨基-2-(氟甲基)戊-3-烯酸?
The molecular weight of 2,5-二氨基-2-(氟甲基)戊-3-烯酸 is 162.08 g/mol.
Where can I buy 2,5-二氨基-2-(氟甲基)戊-3-烯酸?
You can request a quote for 2,5-二氨基-2-(氟甲基)戊-3-烯酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,5-二氨基-2-(氟甲基)戊-3-烯酸?
Yes, KEHONG BIO provides custom synthesis services for 2,5-二氨基-2-(氟甲基)戊-3-烯酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.