RefChem:367041
TL;DR: RefChem:367041 (CAS 97720-41-7) is a chemical compound with molecular formula C10H14O3 and molecular weight 182.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-ethynyl-4-propan-2-yl-2,6,7-trioxabicyclo[2.2.2]octane
Also Known As: 1-Ethynyl-4-isopropylbicycloorthocarboxylate, Orthopropiolic acid, cyclic ester with 2-(hydroxymethyl)-2-isopropyl-1,3-propanediol, 2,6,7-Trioxabicyclo(2.2.2)octane, 1-ethynyl-4-(1-methylethyl)-, 4-ethynyl-1-propan-2-yl-3,5,8-trioxabicyclo[2.2.2]octane, 1-Ethynyl-4-(propan-2-yl)-2,6,7-trioxabicyclo[2.2.2]octane
| Molecular Formula | C10H14O3 |
|---|---|
| Molecular Weight | 182.09 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 27.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 182.0943 |
| Heavy Atoms | 13 |
| Complexity | 236.0 |
Chemical Identifiers
| CAS Number | 97720-41-7 |
|---|---|
| SMILES | CC(C)C12COC(OC1)(OC2)C#C |
| InChIKey | XXBDGOCRDXCJKU-UHFFFAOYSA-N |
Product Overview
RefChem:367041 (CAS 97720-41-7), with molecular formula C10H14O3 and molecular weight 182.09 g/mol. IUPAC: 1-ethynyl-4-propan-2-yl-2,6,7-trioxabicyclo[2.2.2]octane.
Chemical Property Profile of RefChem:367041
Property Insights of RefChem:367041
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:367041. With a topological polar surface area (TPSA) of 27.7 Ų, RefChem:367041 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:367041 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 RefChem:367041?
The CAS number of RefChem:367041 is 97720-41-7.
What is the molecular formula of RefChem:367041?
The molecular formula of RefChem:367041 is C10H14O3.
What is the molecular weight of RefChem:367041?
The molecular weight of RefChem:367041 is 182.09 g/mol.
Where can I buy RefChem:367041?
You can request a quote for RefChem:367041 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:367041?
Yes, KEHONG BIO provides custom synthesis services for RefChem:367041 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.