RefChem:1059666
TL;DR: RefChem:1059666 (CAS 88580-85-2) is a chemical compound with molecular formula C12H18O3 and molecular weight 210.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3a-methyl-6-propan-2-yl-5,6,7,7a-tetrahydro-3H-1-benzofuran-2,4-dione
Also Known As: Benzofuran-2,4(3H,5H)-dione, tetrahydro-3a-methyl-6-(1-methylethyl)-, (3ar,6R)-, 2,4-Benzofurandione, hexahydro-3a-methyl-6-(1-methylethyl)-, (3aR-(3a-alpha,6-alpha,7a-alpha))-, 2-(1(R)-Methyl-2-oxo-4(R)-isopropyl-6(R)-hydroxycyclohexyl)acetic acid-gamma-lactone, 3a-Methyl-6-(propan-2-yl)hexahydro-1-benzofuran-2,4-dione, 3a-methyl-6-propan-2-yl-5,6,7,7a-tetrahydro-3H-1-benzofuran-2,4-dione
| Molecular Formula | C12H18O3 |
|---|---|
| Molecular Weight | 210.13 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 210.1256 |
| Heavy Atoms | 15 |
| Complexity | 308.0 |
Chemical Identifiers
| CAS Number | 88580-85-2 |
|---|---|
| SMILES | CC(C)C1CC2C(CC(=O)O2)(C(=O)C1)C |
| InChIKey | XSWFLOYZQXCBKI-UHFFFAOYSA-N |
Product Overview
RefChem:1059666 (CAS 88580-85-2), with molecular formula C12H18O3 and molecular weight 210.13 g/mol. IUPAC: 3a-methyl-6-propan-2-yl-5,6,7,7a-tetrahydro-3H-1-benzofuran-2,4-dione.
Chemical Property Profile of RefChem:1059666
Property Insights of RefChem:1059666
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1059666. With a topological polar surface area (TPSA) of 43.4 Ų, RefChem:1059666 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1059666 has 0 hydrogen bond donor(s) and 3 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:1059666?
The CAS number of RefChem:1059666 is 88580-85-2.
What is the molecular formula of RefChem:1059666?
The molecular formula of RefChem:1059666 is C12H18O3.
What is the molecular weight of RefChem:1059666?
The molecular weight of RefChem:1059666 is 210.13 g/mol.
Where can I buy RefChem:1059666?
You can request a quote for RefChem:1059666 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1059666?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1059666 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.