2,5,5,8a-Tetramethyloctahydro-2H-chromene
TL;DR: 2,5,5,8a-Tetramethyloctahydro-2H-chromene (CAS 100678-94-2) is a chemical compound with molecular formula C13H24O and molecular weight 196.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-2H-chromene
Also Known As: Tetrahydroedulan, 2,5,5,8a-tetramethylperhydrochromane, 2,5,5,8a-Tetramethyloctahydro-2H-chromene, 2,5,5,8a-Tetramethyl-octahydro-chromene, BAS 00293552
| Molecular Formula | C13H24O |
|---|---|
| Molecular Weight | 196.18 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 196.18271 |
| Heavy Atoms | 14 |
| Complexity | 221.0 |
Chemical Identifiers
| CAS Number | 100678-94-2 |
|---|---|
| SMILES | CC1CCC2C(CCCC2(O1)C)(C)C |
| InChIKey | DMDUUBPBJUFSCD-UHFFFAOYSA-N |
Product Overview
2,5,5,8a-Tetramethyloctahydro-2H-chromene (CAS 100678-94-2), with molecular formula C13H24O and molecular weight 196.18 g/mol. IUPAC: 2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-2H-chromene.
Chemical Property Profile of 2,5,5,8a-Tetramethyloctahydro-2H-chromene
Property Insights of 2,5,5,8a-Tetramethyloctahydro-2H-chromene
The XLogP value of 3.7 indicates that 2,5,5,8a-Tetramethyloctahydro-2H-chromene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.2 Ų, 2,5,5,8a-Tetramethyloctahydro-2H-chromene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,5,5,8a-Tetramethyloctahydro-2H-chromene 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 2,5,5,8a-Tetramethyloctahydro-2H-chromene?
The CAS number of 2,5,5,8a-Tetramethyloctahydro-2H-chromene is 100678-94-2.
What is the molecular formula of 2,5,5,8a-Tetramethyloctahydro-2H-chromene?
The molecular formula of 2,5,5,8a-Tetramethyloctahydro-2H-chromene is C13H24O.
What is the molecular weight of 2,5,5,8a-Tetramethyloctahydro-2H-chromene?
The molecular weight of 2,5,5,8a-Tetramethyloctahydro-2H-chromene is 196.18 g/mol.
Where can I buy 2,5,5,8a-Tetramethyloctahydro-2H-chromene?
You can request a quote for 2,5,5,8a-Tetramethyloctahydro-2H-chromene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,5,5,8a-Tetramethyloctahydro-2H-chromene?
Yes, KEHONG BIO provides custom synthesis services for 2,5,5,8a-Tetramethyloctahydro-2H-chromene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.