Butoflin
TL;DR: Butoflin (CAS 139686-64-9) is a chemical compound with molecular formula C22H19Br2NO3 and molecular weight 502.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trans-[(S)-cyano-(4-phenoxyphenyl)methyl] (1R,3R)-3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropane-1-carboxylate
Also Known As: Butoflin, Cyclopropanecarboxylic acid, 3-(2,2-dibromoethenyl)-2,2-dimethyl-, cyano(4-phenoxyphenyl)methyl ester, (1R-(1alpha(S*),3alpha))-, [(S)-cyano-(4-phenoxyphenyl)methyl] (1R,3R)-3-(2,2-dibromoethenyl)-2,2-dimethyl-cyclopropane-1-carboxylate, (S)-Cyano(4-phenoxyphenyl)methyl (1R,3R)-3-(2,2-dibromoethen-1-yl)-2,2-dimethylcyclopropane-1-carboxylate, [(S)-cyano-(4-phenoxyphenyl)methyl] (1R,3R)-3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropane-1-carboxylate
| Molecular Formula | C22H19Br2NO3 |
|---|---|
| Molecular Weight | 502.97 g/mol |
| LogP | 6.2 |
| Topological Polar Surface Area | 59.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 502.97318 |
| Heavy Atoms | 28 |
| Complexity | 635.0 |
Chemical Identifiers
| CAS Number | 139686-64-9 |
|---|---|
| SMILES | CC1([C@H]([C@H]1C(=O)O[C@H](C#N)C2=CC=C(C=C2)OC3=CC=CC=C3)C=C(Br)Br)C |
| InChIKey | SVQHJDITYPKCJD-NSHGMRRFSA-N |
Product Overview
Butoflin (CAS 139686-64-9), with molecular formula C22H19Br2NO3 and molecular weight 502.97 g/mol. IUPAC: trans-[(S)-cyano-(4-phenoxyphenyl)methyl] (1R,3R)-3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropane-1-carboxylate.
Chemical Property Profile of Butoflin
Property Insights of Butoflin
The XLogP value of 6.2 indicates that Butoflin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.3 Ų, Butoflin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butoflin has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Butoflin?
The CAS number of Butoflin is 139686-64-9.
What is the molecular formula of Butoflin?
The molecular formula of Butoflin is C22H19Br2NO3.
What is the molecular weight of Butoflin?
The molecular weight of Butoflin is 502.97 g/mol.
Where can I buy Butoflin?
You can request a quote for Butoflin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butoflin?
Yes, KEHONG BIO provides custom synthesis services for Butoflin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.