Breflate
TL;DR: Breflate (CAS 174305-65-8) is a chemical compound with molecular formula C20H31NO5 and molecular weight 365.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1R,2R,3E,7S,11E,13S,15S)-2-hydroxy-7-methyl-5-oxo-6-oxabicyclo[11.3.0]hexadeca-3,11-dien-15-yl] 2-(dimethylamino)acetate
Also Known As: Breflate, Brefeldin derivative, 13-(N,N-Dimethylglycyl)brefeldin A, [(1R,2R,3E,7S,11E,13S,15S)-2-hydroxy-7-methyl-5-oxo-6-oxabicyclo[11.3.0]hexadeca-3,11-dien-15-yl] 2-(dimethylamino)acetate, Glycine, N,N-dimethyl-, (1R,2E,6S,10E,11aS,13S,14aR)-4,6,7,8,9,11a,12,13,14,14a-decahydro-1-hydroxy-6-methyl-4-oxo-1H-cyclopent(f)oxacyclotridecin-13-yl ester
| Molecular Formula | C20H31NO5 |
|---|---|
| Molecular Weight | 365.22 g/mol |
| LogP | 2.0749 |
| Topological Polar Surface Area | 76.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 365.2202 |
| Heavy Atoms | 26 |
| Complexity | 542.31964 |
Chemical Identifiers
| CAS Number | 174305-65-8 |
|---|---|
| SMILES | C[C@H]1CCC/C=C/[C@@H]2C[C@@H](C[C@H]2[C@@H](/C=C/C(=O)O1)O)OC(=O)CN(C)C |
Product Overview
Breflate (CAS 174305-65-8), with molecular formula C20H31NO5 and molecular weight 365.22 g/mol. IUPAC: [(1R,2R,3E,7S,11E,13S,15S)-2-hydroxy-7-methyl-5-oxo-6-oxabicyclo[11.3.0]hexadeca-3,11-dien-15-yl] 2-(dimethylamino)acetate.
Chemical Property Profile of Breflate
Property Insights of Breflate
The XLogP value of 2.0749 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Breflate. The TPSA of 76.07 Ų falls within the moderate polarity range, balancing permeability and solubility for Breflate. Following Lipinski's Rule of Five, Breflate has 1 hydrogen bond donor(s) and 6 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 Breflate?
The CAS number of Breflate is 174305-65-8.
What is the molecular formula of Breflate?
The molecular formula of Breflate is C20H31NO5.
What is the molecular weight of Breflate?
The molecular weight of Breflate is 365.22 g/mol.
Where can I buy Breflate?
You can request a quote for Breflate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Breflate?
Yes, KEHONG BIO provides custom synthesis services for Breflate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.