RefChem:95549
TL;DR: RefChem:95549 (CAS 58096-47-2) is a chemical compound with molecular formula C16H26O2 and molecular weight 250.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4,4,8-trimethyl-2-tricyclo[6.3.1.01,5]dodecanyl) formate
Also Known As: 3a,7-Methano-3aH-cyclopentacycloocten-3-ol, decahydro-1,1,7-trimethyl-, formate, (4,4,8-trimethyl-2-tricyclo[6.3.1.01,5]dodecanyl) formate, Decahydro-1,1,7-trimethyl-3a,7-methano-3aH-cyclopentacyclooct-3-yl formate, 3a,7-Methano-3aH-cyclopentacycloocten-3-ol, decahydro-1,1,7-trimethyl-, 3-formate, Decahydro-1,1,7-trimethyl-3a,7-methano-3aH-cyclopentacyclooct-3-ylformate
| Molecular Formula | C16H26O2 |
|---|---|
| Molecular Weight | 250.19 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 250.19328 |
| Heavy Atoms | 18 |
| Complexity | 362.0 |
Chemical Identifiers
| CAS Number | 58096-47-2 |
|---|---|
| SMILES | CC1(CC(C23C1CCC(C2)(CCC3)C)OC=O)C |
| InChIKey | WXBDWVKJVASAHR-UHFFFAOYSA-N |
Product Overview
RefChem:95549 (CAS 58096-47-2), with molecular formula C16H26O2 and molecular weight 250.19 g/mol. IUPAC: (4,4,8-trimethyl-2-tricyclo[6.3.1.01,5]dodecanyl) formate.
Chemical Property Profile of RefChem:95549
Property Insights of RefChem:95549
The XLogP value of 5.0 indicates that RefChem:95549 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, RefChem:95549 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:95549 has 0 hydrogen bond donor(s) and 2 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:95549?
The CAS number of RefChem:95549 is 58096-47-2.
What is the molecular formula of RefChem:95549?
The molecular formula of RefChem:95549 is C16H26O2.
What is the molecular weight of RefChem:95549?
The molecular weight of RefChem:95549 is 250.19 g/mol.
Where can I buy RefChem:95549?
You can request a quote for RefChem:95549 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:95549?
Yes, KEHONG BIO provides custom synthesis services for RefChem:95549 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.