(Bromoacetyl)trichodermin
TL;DR: (Bromoacetyl)trichodermin (CAS 5455-03-8) is a chemical compound with molecular formula C17H23BrO4 and molecular weight 370.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,7R,9R,11R)-1,2,5-trimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-11-yl] 2-bromoacetate
Also Known As: Bromoacetyltrichodermin, (Bromoacetyl)trichodermin, KST-1A0164, 12,13-Epoxytrichothec-9-en-4-yl bromoacetate, (4
| Molecular Formula | C17H23BrO4 |
|---|---|
| Molecular Weight | 370.08 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 48.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 370.07797 |
| Heavy Atoms | 22 |
| Complexity | 561.0 |
Chemical Identifiers
| CAS Number | 5455-03-8 |
|---|---|
| SMILES | CC1=C[C@@H]2[C@](CC1)(C3([C@@H](C[C@H](C34CO4)O2)OC(=O)CBr)C)C |
| InChIKey | ALINPKRKQDZSFF-BEBBRDBUSA-N |
Product Overview
(Bromoacetyl)trichodermin (CAS 5455-03-8), with molecular formula C17H23BrO4 and molecular weight 370.08 g/mol. IUPAC: [(2R,7R,9R,11R)-1,2,5-trimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-11-yl] 2-bromoacetate.
Chemical Property Profile of (Bromoacetyl)trichodermin
Property Insights of (Bromoacetyl)trichodermin
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Bromoacetyl)trichodermin. With a topological polar surface area (TPSA) of 48.1 Ų, (Bromoacetyl)trichodermin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (Bromoacetyl)trichodermin 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 (Bromoacetyl)trichodermin?
The CAS number of (Bromoacetyl)trichodermin is 5455-03-8.
What is the molecular formula of (Bromoacetyl)trichodermin?
The molecular formula of (Bromoacetyl)trichodermin is C17H23BrO4.
What is the molecular weight of (Bromoacetyl)trichodermin?
The molecular weight of (Bromoacetyl)trichodermin is 370.08 g/mol.
Where can I buy (Bromoacetyl)trichodermin?
You can request a quote for (Bromoacetyl)trichodermin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Bromoacetyl)trichodermin?
Yes, KEHONG BIO provides custom synthesis services for (Bromoacetyl)trichodermin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.