RefChem:198047
TL;DR: RefChem:198047 (CAS 41723-98-2) is a chemical compound with molecular formula C14H20O and molecular weight 204.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4'-dimethylspiro[oxirane-2,9'-tricyclo[6.2.1.02,7]undec-4-ene]
Also Known As: 3,4,4a,5,8,8a-Hexahydro-3',6-dimethylspiro[1,4-methanonaphthalene-2(1H),2'-oxirane], 3',6-hexahydrodimethyl spiromethanonaphthalene oxirane, 3,4'-dimethylspiro[oxirane-2,9'-tricyclo[6.2.1.02,7]undec-4-ene], 3,4'-dimethylspiro[oxirane-2,9'-tricyclo[6.2.1.02,7]undec[4]ene], 9-(9,12-Epoxyethyl)-4-methyltricyclo(6.2.1.0(2,7))undec-4-ene
| Molecular Formula | C14H20O |
|---|---|
| Molecular Weight | 204.15 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 12.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 204.15141 |
| Heavy Atoms | 15 |
| Complexity | 345.0 |
Chemical Identifiers
| CAS Number | 41723-98-2 |
|---|---|
| SMILES | CC1C2(O1)CC3CC2C4C3CC(=CC4)C |
| InChIKey | AVJUDQZBROVIIP-UHFFFAOYSA-N |
Product Overview
RefChem:198047 (CAS 41723-98-2), with molecular formula C14H20O and molecular weight 204.15 g/mol. IUPAC: 3,4'-dimethylspiro[oxirane-2,9'-tricyclo[6.2.1.02,7]undec-4-ene].
Chemical Property Profile of RefChem:198047
Property Insights of RefChem:198047
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:198047. With a topological polar surface area (TPSA) of 12.5 Ų, RefChem:198047 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:198047 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 RefChem:198047?
The CAS number of RefChem:198047 is 41723-98-2.
What is the molecular formula of RefChem:198047?
The molecular formula of RefChem:198047 is C14H20O.
What is the molecular weight of RefChem:198047?
The molecular weight of RefChem:198047 is 204.15 g/mol.
Where can I buy RefChem:198047?
You can request a quote for RefChem:198047 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:198047?
Yes, KEHONG BIO provides custom synthesis services for RefChem:198047 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.