Okamurallene
TL;DR: Okamurallene (CAS 80539-33-9) is a chemical compound with molecular formula C15H16Br2O3 and molecular weight 401.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3aR,6aS)-6-bromo-2-(3-bromopropa-1,2-dienyl)-5-[(1S)-2-[(2R,3R)-3-methyloxiran-2-yl]cyclopropyl]-2,3,3a,6a-tetrahydrofuro[3,2-b]furan
Also Known As: Okamurallene, (2S,3aR,6aS)-6-bromo-2-(3-bromopropa-1,2-dienyl)-5-[(1S)-2-[(2R,3R)-3-methyloxiran-2-yl]cyclopropyl]-2,3,3a,6a-tetrahydrofuro[3,2-b]furan, Furo(3,2-b)furan, 6-bromo-2-((1S)-3-bromo-1,2-propadienyl)-2,3,3a,6a-tetrahydro-5-((1S,2R)-2-((2S,3R)-3-methyloxiranyl)cyclopropyl)-, (2S,3aR,6aS)-, Furo(3,2-b)furan, 6-bromo-2-(3-bromo-1,2-propadienyl)-2,3,3a,6a-tetrahydro-5-(2-(3-methyloxiranyl)cyclopropyl)-, (2S-(2alpha(R*),3aalpha,5(1R*,2S*(2R*,3S*)),6aalpha))-
| Molecular Formula | C15H16Br2O3 |
|---|---|
| Molecular Weight | 401.95 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 31.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 401.94662 |
| Heavy Atoms | 20 |
| Complexity | 523.0 |
Chemical Identifiers
| CAS Number | 80539-33-9 |
|---|---|
| SMILES | C[C@@H]1[C@H](O1)C2C[C@@H]2C3=C([C@@H]4[C@H](O3)C[C@H](O4)C=C=CBr)Br |
| InChIKey | DOBIJRXDCBLKRN-YXSNXNTQSA-N |
Product Overview
Okamurallene (CAS 80539-33-9), with molecular formula C15H16Br2O3 and molecular weight 401.95 g/mol. IUPAC: (2S,3aR,6aS)-6-bromo-2-(3-bromopropa-1,2-dienyl)-5-[(1S)-2-[(2R,3R)-3-methyloxiran-2-yl]cyclopropyl]-2,3,3a,6a-tetrahydrofuro[3,2-b]furan.
Chemical Property Profile of Okamurallene
Property Insights of Okamurallene
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Okamurallene. With a topological polar surface area (TPSA) of 31.0 Ų, Okamurallene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Okamurallene has 0 hydrogen bond donor(s) and 3 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 Okamurallene?
The CAS number of Okamurallene is 80539-33-9.
What is the molecular formula of Okamurallene?
The molecular formula of Okamurallene is C15H16Br2O3.
What is the molecular weight of Okamurallene?
The molecular weight of Okamurallene is 401.95 g/mol.
Where can I buy Okamurallene?
You can request a quote for Okamurallene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Okamurallene?
Yes, KEHONG BIO provides custom synthesis services for Okamurallene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.