Oxirapentyn
TL;DR: Oxirapentyn (CAS 88205-90-7) is a chemical compound with molecular formula C18H20O6 and molecular weight 332.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1R,3S,5S,7S,8S,11R)-10,10-dimethyl-5-(3-methylbut-3-en-1-ynyl)-4-oxo-2,6,9-trioxatetracyclo[6.4.0.01,3.05,7]dodecan-11-yl] acetate
Also Known As: Oxirapentyn, 2H,5aH-Bisoxireno(e,h)-1-benzopyran-6(6aH)-one, tetrahydro-3-(acetyloxy)-2,2-dimethyl-6a-(3-methyl-3-buten-1-ynyl)-, (3-alpha,4ar*,5a-alpha,6a-alpha,7a-alpha,7b-beta)-, (-)-, 2H,5aH-Bisoxireno[e,h]-1-benzopyran-6(6aH)-one,3-(acetyloxy)tetrahydro-2,2-dimethyl-6a-(3-methyl-3-buten-1-yn-1-yl)-,(3R,4aR,5aS,6aS,7aS,7bS)-, (3R,4aR,5aS,6aS,7aS,7bS)-2,2-Dimethyl-6a-(3-methylbut-3-en-1-yn-1-yl)-6-oxohexahydro-2H,5aH-bisoxireno[e,h][1]benzopyran-3-yl acetate, [(1R,3S,5S,7S,8S,11R)-10,10-dimethyl-5-(3-methylbut-3-en-1-ynyl)-4-oxo-2,6,9-trioxatetracyclo[6.4.0.01,3.05,7]dodecan-11-yl] acetate
| Molecular Formula | C18H20O6 |
|---|---|
| Molecular Weight | 332.13 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 77.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 332.12598 |
| Heavy Atoms | 24 |
| Complexity | 739.0 |
Chemical Identifiers
| CAS Number | 88205-90-7 |
|---|---|
| SMILES | CC(=C)C#C[C@@]12[C@@H](O1)[C@H]3[C@]4(C[C@H](C(O3)(C)C)OC(=O)C)[C@@H](C2=O)O4 |
| InChIKey | UDLWCNHPUOUNNV-OYPOXQCJSA-N |
Product Overview
Oxirapentyn (CAS 88205-90-7), with molecular formula C18H20O6 and molecular weight 332.13 g/mol. IUPAC: [(1R,3S,5S,7S,8S,11R)-10,10-dimethyl-5-(3-methylbut-3-en-1-ynyl)-4-oxo-2,6,9-trioxatetracyclo[6.4.0.01,3.05,7]dodecan-11-yl] acetate.
Chemical Property Profile of Oxirapentyn
Property Insights of Oxirapentyn
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Oxirapentyn. The TPSA of 77.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Oxirapentyn. Following Lipinski's Rule of Five, Oxirapentyn has 0 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 Oxirapentyn?
The CAS number of Oxirapentyn is 88205-90-7.
What is the molecular formula of Oxirapentyn?
The molecular formula of Oxirapentyn is C18H20O6.
What is the molecular weight of Oxirapentyn?
The molecular weight of Oxirapentyn is 332.13 g/mol.
Where can I buy Oxirapentyn?
You can request a quote for Oxirapentyn directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Oxirapentyn?
Yes, KEHONG BIO provides custom synthesis services for Oxirapentyn and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.