Methyl (2S)-3-(13,13-dibromotrideca-1,12-dienyl)-2H-azirine-2-carboxylate
TL;DR: Methyl (2S)-3-(13,13-dibromotrideca-1,12-dienyl)-2H-azirine-2-carboxylate (CAS 170554-75-3) is a chemical compound with molecular formula C17H25Br2NO2 and molecular weight 433.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2S)-3-(13,13-dibromotrideca-1,12-dienyl)-2H-azirine-2-carboxylate
Also Known As: Antazirine, Methyl (2S)-3-(13,13-dibromotrideca-1,12-dienyl)-2H-azirine-2-carboxylate, 2H-Azirine-2-carboxylicacid, 3-[(1Z)-13,13-dibromo-1,12-tridecadien-1-yl]-, methyl ester, (2S)-
| Molecular Formula | C17H25Br2NO2 |
|---|---|
| Molecular Weight | 433.03 g/mol |
| LogP | 6.9 |
| Topological Polar Surface Area | 38.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 13 |
| Exact Mass | 433.0252 |
| Heavy Atoms | 22 |
| Complexity | 426.0 |
Chemical Identifiers
| CAS Number | 170554-75-3 |
|---|---|
| SMILES | COC(=O)[C@@H]1C(=N1)C=CCCCCCCCCCC=C(Br)Br |
| InChIKey | KUIICVNFNJTIGS-INIZCTEOSA-N |
Product Overview
Methyl (2S)-3-(13,13-dibromotrideca-1,12-dienyl)-2H-azirine-2-carboxylate (CAS 170554-75-3), with molecular formula C17H25Br2NO2 and molecular weight 433.03 g/mol. IUPAC: methyl (2S)-3-(13,13-dibromotrideca-1,12-dienyl)-2H-azirine-2-carboxylate.
Chemical Property Profile of Methyl (2S)-3-(13,13-dibromotrideca-1,12-dienyl)-2H-azirine-2-carboxylate
Property Insights of Methyl (2S)-3-(13,13-dibromotrideca-1,12-dienyl)-2H-azirine-2-carboxylate
The XLogP value of 6.9 indicates that Methyl (2S)-3-(13,13-dibromotrideca-1,12-dienyl)-2H-azirine-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.7 Ų, Methyl (2S)-3-(13,13-dibromotrideca-1,12-dienyl)-2H-azirine-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl (2S)-3-(13,13-dibromotrideca-1,12-dienyl)-2H-azirine-2-carboxylate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Methyl (2S)-3-(13,13-dibromotrideca-1,12-dienyl)-2H-azirine-2-carboxylate?
The CAS number of Methyl (2S)-3-(13,13-dibromotrideca-1,12-dienyl)-2H-azirine-2-carboxylate is 170554-75-3.
What is the molecular formula of Methyl (2S)-3-(13,13-dibromotrideca-1,12-dienyl)-2H-azirine-2-carboxylate?
The molecular formula of Methyl (2S)-3-(13,13-dibromotrideca-1,12-dienyl)-2H-azirine-2-carboxylate is C17H25Br2NO2.
What is the molecular weight of Methyl (2S)-3-(13,13-dibromotrideca-1,12-dienyl)-2H-azirine-2-carboxylate?
The molecular weight of Methyl (2S)-3-(13,13-dibromotrideca-1,12-dienyl)-2H-azirine-2-carboxylate is 433.03 g/mol.
Where can I buy Methyl (2S)-3-(13,13-dibromotrideca-1,12-dienyl)-2H-azirine-2-carboxylate?
You can request a quote for Methyl (2S)-3-(13,13-dibromotrideca-1,12-dienyl)-2H-azirine-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl (2S)-3-(13,13-dibromotrideca-1,12-dienyl)-2H-azirine-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl (2S)-3-(13,13-dibromotrideca-1,12-dienyl)-2H-azirine-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.