Rhubofix
TL;DR: Rhubofix (CAS 41816-03-9) 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-2,10'-tricyclo[6.2.1.02,7]undec-4-ene]
Also Known As: Rhubofix, rhubarb oxirane, Spiro(1,4-methanonaphthalene-2(1H),2'-oxirane), 3,4,4a,5,8,8a-hexahydro-3',7-dimethyl-, 3,4'-dimethylspiro[oxirane-2,10'-tricyclo[6.2.1.02,7]undec-4-ene], 3,4,4a,5,8,8a-Hexahydro-3',7'-dimethylspiro[1,4-methanonaphthalene-2(1H),2'-oxirane]
| 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 | 41816-03-9 |
|---|---|
| SMILES | CC1C2(O1)CC3CC2C4C3CC=C(C4)C |
| InChIKey | VKPRTBDRPNWOGL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Rhubofix (CAS 41816-03-9), with molecular formula C14H20O and molecular weight 204.15 g/mol. IUPAC: 3,4'-dimethylspiro[oxirane-2,10'-tricyclo[6.2.1.02,7]undec-4-ene].
Chemical Property Profile of Rhubofix
Property Insights of Rhubofix
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Rhubofix. With a topological polar surface area (TPSA) of 12.5 Ų, Rhubofix exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Rhubofix 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 Rhubofix?
The CAS number of Rhubofix is 41816-03-9.
What is the molecular formula of Rhubofix?
The molecular formula of Rhubofix is C14H20O.
What is the molecular weight of Rhubofix?
The molecular weight of Rhubofix is 204.15 g/mol.
Where can I buy Rhubofix?
You can request a quote for Rhubofix directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Rhubofix?
Yes, KEHONG BIO provides custom synthesis services for Rhubofix and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.