RefChem:1078898
TL;DR: RefChem:1078898 (CAS 88580-86-3) 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.
4-hydroxy-3a-methyl-6-prop-1-en-2-yl-3,4,5,6,7,7a-hexahydro-1-benzofuran-2-one
Also Known As: (3aS,4R,6S,7aR)-hexahydro-4-hydroxy-3a-methyl-6-(1-methylethenyl)benzofuran-2(3H)-one, Benzofuran-2(3H)-one, hexahydro-4-hydroxy-3a-methyl-6-(1-methylethenyl)-, (3aS-(3a-alpha,4-alpha,6-alpha,7a-alpha))-, 2-(1(S)-Methyl-2(R)-hydroxy-4(S)-isopropenyl-6(R)-hydroxycyclohexyl)acetic acid-gamma-lactone, 4-hydroxy-3a-methyl-6-prop-1-en-2-yl-3,4,5,6,7,7a-hexahydro-1-benzofuran-2-one, 4-Hydroxy-3a-methyl-6-(prop-1-en-2-yl)hexahydro-1-benzofuran-2(3H)-one
| Molecular Formula | C12H18O3 |
|---|---|
| Molecular Weight | 210.13 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 210.1256 |
| Heavy Atoms | 15 |
| Complexity | 310.0 |
Chemical Identifiers
| CAS Number | 88580-86-3 |
|---|---|
| SMILES | CC(=C)C1CC(C2(CC(=O)OC2C1)C)O |
| InChIKey | OCZQJFJNWTYDNP-UHFFFAOYSA-N |
Product Overview
RefChem:1078898 (CAS 88580-86-3), with molecular formula C12H18O3 and molecular weight 210.13 g/mol. IUPAC: 4-hydroxy-3a-methyl-6-prop-1-en-2-yl-3,4,5,6,7,7a-hexahydro-1-benzofuran-2-one.
Chemical Property Profile of RefChem:1078898
Property Insights of RefChem:1078898
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1078898. With a topological polar surface area (TPSA) of 46.5 Ų, RefChem:1078898 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1078898 has 1 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:1078898?
The CAS number of RefChem:1078898 is 88580-86-3.
What is the molecular formula of RefChem:1078898?
The molecular formula of RefChem:1078898 is C12H18O3.
What is the molecular weight of RefChem:1078898?
The molecular weight of RefChem:1078898 is 210.13 g/mol.
Where can I buy RefChem:1078898?
You can request a quote for RefChem:1078898 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1078898?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1078898 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.