Paeonimetabolin I
TL;DR: Paeonimetabolin I (CAS 6345-04-6) is a chemical compound with molecular formula C10H14O4 and molecular weight 198.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-hydroxy-3,10-dimethyl-2,9-dioxatricyclo[4.3.1.03,8]decan-5-one
Also Known As: Paeonimetabolin I, 8-hydroxy-3,10-dimethyl-2,9-dioxatricyclo[4.3.1.03,8]decan-5-one, 3a-hydroxy-7a,8-dimethyltetrahydro-2,5-methano-1,3-benzodioxol-6(3ah)-one, 3a-Hydroxy-7a,8-dimethyltetrahydro-2H-2,5-methano-1,3-benzodioxol-6(3aH)-one, 2,5-Methano-1,3-benzodioxol-6(5H)-one, tetrahydro-3a-hydroxy-7a,8-dimethyl-, (2S-(2alpha,3abeta,5alpha,7abeta,8R*))-
| Molecular Formula | C10H14O4 |
|---|---|
| Molecular Weight | 198.09 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 198.0892 |
| Heavy Atoms | 14 |
| Complexity | 315.0 |
Chemical Identifiers
| CAS Number | 6345-04-6 |
|---|---|
| SMILES | CC1C2CC3(C(CC2=O)(OC1O3)C)O |
| InChIKey | WXMARWINOVVAEN-UHFFFAOYSA-N |
Product Overview
Paeonimetabolin I (CAS 6345-04-6), with molecular formula C10H14O4 and molecular weight 198.09 g/mol. IUPAC: 8-hydroxy-3,10-dimethyl-2,9-dioxatricyclo[4.3.1.03,8]decan-5-one.
Chemical Property Profile of Paeonimetabolin I
Property Insights of Paeonimetabolin I
The XLogP value of -0.2 indicates that Paeonimetabolin I is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 55.8 Ų, Paeonimetabolin I exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Paeonimetabolin I has 1 hydrogen bond donor(s) and 4 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 Paeonimetabolin I?
The CAS number of Paeonimetabolin I is 6345-04-6.
What is the molecular formula of Paeonimetabolin I?
The molecular formula of Paeonimetabolin I is C10H14O4.
What is the molecular weight of Paeonimetabolin I?
The molecular weight of Paeonimetabolin I is 198.09 g/mol.
Where can I buy Paeonimetabolin I?
You can request a quote for Paeonimetabolin I directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Paeonimetabolin I?
Yes, KEHONG BIO provides custom synthesis services for Paeonimetabolin I and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.