Methyl 2-benzyloxycarbonylimino-3,3,3-trifluoropropionate
TL;DR: Methyl 2-benzyloxycarbonylimino-3,3,3-trifluoropropionate (CAS 322474-13-5) is a chemical compound with molecular formula C12H10F3NO4 and molecular weight 289.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2Z)-3,3,3-trifluoro-2-phenylmethoxycarbonyliminopropanoate
Also Known As: J1.320.390C, Methyl 2-benzyloxycarbonylimino-3,3,3-trifluoropropionate, methyl (2Z)-3,3,3-trifluoro-2-phenylmethoxycarbonyliminopropanoate, 2-benzyloxycarbonylimino-3,3,3-trifluoropropionic acid methyl ester, methyl (2Z)-2-benzyloxycarbonylimino-3,3,3-trifluoro-propanoate
| Molecular Formula | C12H10F3NO4 |
|---|---|
| Molecular Weight | 289.06 g/mol |
| LogP | 2.4995 |
| Topological Polar Surface Area | 64.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 289.05618 |
| Heavy Atoms | 20 |
| Complexity | 511.18378 |
Chemical Identifiers
| CAS Number | 322474-13-5 |
|---|---|
| SMILES | COC(=O)/C(=N/C(=O)OCC1=CC=CC=C1)/C(F)(F)F |
Product Overview
Methyl 2-benzyloxycarbonylimino-3,3,3-trifluoropropionate (CAS 322474-13-5), with molecular formula C12H10F3NO4 and molecular weight 289.06 g/mol. IUPAC: methyl (2Z)-3,3,3-trifluoro-2-phenylmethoxycarbonyliminopropanoate.
Chemical Property Profile of Methyl 2-benzyloxycarbonylimino-3,3,3-trifluoropropionate
Property Insights of Methyl 2-benzyloxycarbonylimino-3,3,3-trifluoropropionate
The XLogP value of 2.4995 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-benzyloxycarbonylimino-3,3,3-trifluoropropionate. The TPSA of 64.96 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-benzyloxycarbonylimino-3,3,3-trifluoropropionate. Following Lipinski's Rule of Five, Methyl 2-benzyloxycarbonylimino-3,3,3-trifluoropropionate has 0 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 Methyl 2-benzyloxycarbonylimino-3,3,3-trifluoropropionate?
The CAS number of Methyl 2-benzyloxycarbonylimino-3,3,3-trifluoropropionate is 322474-13-5.
What is the molecular formula of Methyl 2-benzyloxycarbonylimino-3,3,3-trifluoropropionate?
The molecular formula of Methyl 2-benzyloxycarbonylimino-3,3,3-trifluoropropionate is C12H10F3NO4.
What is the molecular weight of Methyl 2-benzyloxycarbonylimino-3,3,3-trifluoropropionate?
The molecular weight of Methyl 2-benzyloxycarbonylimino-3,3,3-trifluoropropionate is 289.06 g/mol.
Where can I buy Methyl 2-benzyloxycarbonylimino-3,3,3-trifluoropropionate?
You can request a quote for Methyl 2-benzyloxycarbonylimino-3,3,3-trifluoropropionate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-benzyloxycarbonylimino-3,3,3-trifluoropropionate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-benzyloxycarbonylimino-3,3,3-trifluoropropionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.