Itomanallene A
TL;DR: Itomanallene A (CAS 83140-64-1) is a chemical compound with molecular formula C15H20Br2O2 and molecular weight 389.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3aR,5R,6S,8Z,10aR)-6-bromo-2-(3-bromopropa-1,2-dienyl)-5-ethyl-2,3,3a,5,6,7,10,10a-octahydrofuro[3,2-b]oxonine
Also Known As: Itomanallene A, (2R,3aR,5R,6S,8Z,10aR)-6-bromo-2-(3-bromopropa-1,2-dienyl)-5-ethyl-2,3,3a,5,6,7,10,10a-octahydrofuro[3,2-b]oxonine, (2R,3aR,5R,6S,8Z,10aR)-6-Bromo-2-(3-bromopropadienyl)-5-ethyl-2,3,3a,5,6,7,10,10a-octahydrofuro[3,2-b]oxonine
| Molecular Formula | C15H20Br2O2 |
|---|---|
| Molecular Weight | 389.98 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 389.983 |
| Heavy Atoms | 19 |
| Complexity | 374.0 |
Chemical Identifiers
| CAS Number | 83140-64-1 |
|---|---|
| SMILES | CC[C@@H]1[C@H](C/C=C\C[C@@H]2[C@H](O1)C[C@@H](O2)C=C=CBr)Br |
| InChIKey | MFIOGNKPHIMUQN-VGWHHXMBSA-N |
Product Overview
Itomanallene A (CAS 83140-64-1), with molecular formula C15H20Br2O2 and molecular weight 389.98 g/mol. IUPAC: (2R,3aR,5R,6S,8Z,10aR)-6-bromo-2-(3-bromopropa-1,2-dienyl)-5-ethyl-2,3,3a,5,6,7,10,10a-octahydrofuro[3,2-b]oxonine.
Chemical Property Profile of Itomanallene A
Property Insights of Itomanallene A
The XLogP value of 3.8 indicates that Itomanallene A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 18.5 Ų, Itomanallene A exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Itomanallene A has 0 hydrogen bond donor(s) and 2 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 Itomanallene A?
The CAS number of Itomanallene A is 83140-64-1.
What is the molecular formula of Itomanallene A?
The molecular formula of Itomanallene A is C15H20Br2O2.
What is the molecular weight of Itomanallene A?
The molecular weight of Itomanallene A is 389.98 g/mol.
Where can I buy Itomanallene A?
You can request a quote for Itomanallene A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Itomanallene A?
Yes, KEHONG BIO provides custom synthesis services for Itomanallene A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.