3',4',5',6'-Tetrahydrospiro(oxirane-2,1'(2'H)-pentalene)
TL;DR: 3',4',5',6'-Tetrahydrospiro(oxirane-2,1'(2'H)-pentalene) (CAS 56771-49-4) is a chemical compound with molecular formula C9H12O and molecular weight 136.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
spiro[2,3,4,5-tetrahydro-1H-pentalene-6,2'-oxirane]
Also Known As: Spiro[oxirane-2,1'(2'H)-pentalene], 3',4',5',6'-tetrahydro-, 3',4',5',6'-tetrahydro-2'H-spiro[oxirane-2,1'-pentalene], 3,4,5,6-Tetrahydrospiro[2H-pentalene-1,2'-oxirane], spiro[2,3,4,5-tetrahydro-1H-pentalene-6,2'-oxirane], 3,4,5,6-Tetrahydrospiro[2H-pentalene-1,2 -oxirane]
| Molecular Formula | C9H12O |
|---|---|
| Molecular Weight | 136.09 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 12.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 136.08882 |
| Heavy Atoms | 10 |
| Complexity | 217.0 |
Chemical Identifiers
| CAS Number | 56771-49-4 |
|---|---|
| SMILES | C1CC2=C(C1)C3(CC2)CO3 |
| InChIKey | YDVRLTUPPMJDKV-UHFFFAOYSA-N |
Product Overview
3',4',5',6'-Tetrahydrospiro(oxirane-2,1'(2'H)-pentalene) (CAS 56771-49-4), with molecular formula C9H12O and molecular weight 136.09 g/mol. IUPAC: spiro[2,3,4,5-tetrahydro-1H-pentalene-6,2'-oxirane].
Chemical Property Profile of 3',4',5',6'-Tetrahydrospiro(oxirane-2,1'(2'H)-pentalene)
Property Insights of 3',4',5',6'-Tetrahydrospiro(oxirane-2,1'(2'H)-pentalene)
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3',4',5',6'-Tetrahydrospiro(oxirane-2,1'(2'H)-pentalene). With a topological polar surface area (TPSA) of 12.5 Ų, 3',4',5',6'-Tetrahydrospiro(oxirane-2,1'(2'H)-pentalene) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3',4',5',6'-Tetrahydrospiro(oxirane-2,1'(2'H)-pentalene) has 0 hydrogen bond donor(s) and 1 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 3',4',5',6'-Tetrahydrospiro(oxirane-2,1'(2'H)-pentalene)?
The CAS number of 3',4',5',6'-Tetrahydrospiro(oxirane-2,1'(2'H)-pentalene) is 56771-49-4.
What is the molecular formula of 3',4',5',6'-Tetrahydrospiro(oxirane-2,1'(2'H)-pentalene)?
The molecular formula of 3',4',5',6'-Tetrahydrospiro(oxirane-2,1'(2'H)-pentalene) is C9H12O.
What is the molecular weight of 3',4',5',6'-Tetrahydrospiro(oxirane-2,1'(2'H)-pentalene)?
The molecular weight of 3',4',5',6'-Tetrahydrospiro(oxirane-2,1'(2'H)-pentalene) is 136.09 g/mol.
Where can I buy 3',4',5',6'-Tetrahydrospiro(oxirane-2,1'(2'H)-pentalene)?
You can request a quote for 3',4',5',6'-Tetrahydrospiro(oxirane-2,1'(2'H)-pentalene) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3',4',5',6'-Tetrahydrospiro(oxirane-2,1'(2'H)-pentalene)?
Yes, KEHONG BIO provides custom synthesis services for 3',4',5',6'-Tetrahydrospiro(oxirane-2,1'(2'H)-pentalene) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.