4a,7,7-Trimethyl-3,4,4a,5,6,7-hexahydro-2h-chromen-2-one
TL;DR: 4a,7,7-Trimethyl-3,4,4a,5,6,7-hexahydro-2h-chromen-2-one (CAS 92596-17-3) is a chemical compound with molecular formula C12H18O2 and molecular weight 194.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4a,7,7-trimethyl-3,4,5,6-tetrahydrochromen-2-one
Also Known As: 4a,7,7-trimethyl-3,4,4a,5,6,7-hexahydro-2h-chromen-2-one, 4a,7,7-trimethyl-3,4,5,6-tetrahydrochromen-2-one, 4a,7,7-Trimethyl-3,4,4a,5,6,7-hexahydro-2H-1-benzopyran-2-one
| Molecular Formula | C12H18O2 |
|---|---|
| Molecular Weight | 194.13 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 194.13068 |
| Heavy Atoms | 14 |
| Complexity | 301.0 |
Chemical Identifiers
| CAS Number | 92596-17-3 |
|---|---|
| SMILES | CC1(CCC2(CCC(=O)OC2=C1)C)C |
| InChIKey | GOQJLWJTVLCFAS-UHFFFAOYSA-N |
Product Overview
4a,7,7-Trimethyl-3,4,4a,5,6,7-hexahydro-2h-chromen-2-one (CAS 92596-17-3), with molecular formula C12H18O2 and molecular weight 194.13 g/mol. IUPAC: 4a,7,7-trimethyl-3,4,5,6-tetrahydrochromen-2-one.
Chemical Property Profile of 4a,7,7-Trimethyl-3,4,4a,5,6,7-hexahydro-2h-chromen-2-one
Property Insights of 4a,7,7-Trimethyl-3,4,4a,5,6,7-hexahydro-2h-chromen-2-one
The XLogP value of 3.0 indicates that 4a,7,7-Trimethyl-3,4,4a,5,6,7-hexahydro-2h-chromen-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 4a,7,7-Trimethyl-3,4,4a,5,6,7-hexahydro-2h-chromen-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4a,7,7-Trimethyl-3,4,4a,5,6,7-hexahydro-2h-chromen-2-one 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 4a,7,7-Trimethyl-3,4,4a,5,6,7-hexahydro-2h-chromen-2-one?
The CAS number of 4a,7,7-Trimethyl-3,4,4a,5,6,7-hexahydro-2h-chromen-2-one is 92596-17-3.
What is the molecular formula of 4a,7,7-Trimethyl-3,4,4a,5,6,7-hexahydro-2h-chromen-2-one?
The molecular formula of 4a,7,7-Trimethyl-3,4,4a,5,6,7-hexahydro-2h-chromen-2-one is C12H18O2.
What is the molecular weight of 4a,7,7-Trimethyl-3,4,4a,5,6,7-hexahydro-2h-chromen-2-one?
The molecular weight of 4a,7,7-Trimethyl-3,4,4a,5,6,7-hexahydro-2h-chromen-2-one is 194.13 g/mol.
Where can I buy 4a,7,7-Trimethyl-3,4,4a,5,6,7-hexahydro-2h-chromen-2-one?
You can request a quote for 4a,7,7-Trimethyl-3,4,4a,5,6,7-hexahydro-2h-chromen-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4a,7,7-Trimethyl-3,4,4a,5,6,7-hexahydro-2h-chromen-2-one?
Yes, KEHONG BIO provides custom synthesis services for 4a,7,7-Trimethyl-3,4,4a,5,6,7-hexahydro-2h-chromen-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.