Azoxybacilin phenylmethyl ester
TL;DR: Azoxybacilin phenylmethyl ester (CAS 19845-00-2) is a chemical compound with molecular formula C14H18F3N3O5 and molecular weight 365.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3S)-3-amino-4-oxo-4-phenylmethoxybutyl]imino-methyl-oxidoazanium;2,2,2-trifluoroacetic acid
Also Known As: Azoxybacilin phenylmethyl ester, BENZYL AZOXYBACILIN, Ro 09-1824, Ro-09-1824, benzyl(2s)-2-amino-4-[(z)-methyl-onn-azoxy]butanoate trifluoroacetate(1:1)
| Molecular Formula | C14H18F3N3O5 |
|---|---|
| Molecular Weight | 365.12 g/mol |
| LogP | 1.6728 |
| Topological Polar Surface Area | 131.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 365.11984 |
| Heavy Atoms | 25 |
| Complexity | 372.0 |
Chemical Identifiers
| CAS Number | 19845-00-2 |
|---|---|
| SMILES | C[N+](=NCC[C@@H](C(=O)OCC1=CC=CC=C1)N)[O-].C(=O)(C(F)(F)F)O |
| InChIKey | UVKUAEHIYUJNRZ-MERQFXBCSA-N |
Product Overview
Azoxybacilin phenylmethyl ester (CAS 19845-00-2), with molecular formula C14H18F3N3O5 and molecular weight 365.12 g/mol. IUPAC: [(3S)-3-amino-4-oxo-4-phenylmethoxybutyl]imino-methyl-oxidoazanium;2,2,2-trifluoroacetic acid.
Chemical Property Profile of Azoxybacilin phenylmethyl ester
Property Insights of Azoxybacilin phenylmethyl ester
The XLogP value of 1.6728 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Azoxybacilin phenylmethyl ester. The TPSA of 131.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Azoxybacilin phenylmethyl ester. Following Lipinski's Rule of Five, Azoxybacilin phenylmethyl ester has 2 hydrogen bond donor(s) and 10 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 Azoxybacilin phenylmethyl ester?
The CAS number of Azoxybacilin phenylmethyl ester is 19845-00-2.
What is the molecular formula of Azoxybacilin phenylmethyl ester?
The molecular formula of Azoxybacilin phenylmethyl ester is C14H18F3N3O5.
What is the molecular weight of Azoxybacilin phenylmethyl ester?
The molecular weight of Azoxybacilin phenylmethyl ester is 365.12 g/mol.
Where can I buy Azoxybacilin phenylmethyl ester?
You can request a quote for Azoxybacilin phenylmethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Azoxybacilin phenylmethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Azoxybacilin phenylmethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.