Arnamiol
TL;DR: Arnamiol (CAS 102092-23-9) is a chemical compound with molecular formula C24H31ClO6 and molecular weight 450.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,4S,4aR,7aS,7bR)-4-hydroxy-3-(hydroxymethyl)-6,6,7b-trimethyl-2,4,4a,5,7,7a-hexahydro-1H-cyclobuta[e]inden-2-yl] 3-chloro-6-hydroxy-4-methoxy-2-methylbenzoate
Also Known As: Arnamiol, Melleolide Q, 4'-O-Methylmelleolide P, CH 205-J, KST-1A0515
| Molecular Formula | C24H31ClO6 |
|---|---|
| Molecular Weight | 450.18 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 96.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 450.1809 |
| Heavy Atoms | 31 |
| Complexity | 765.0 |
Chemical Identifiers
| CAS Number | 102092-23-9 |
|---|---|
| SMILES | CC1=C(C(=CC(=C1Cl)OC)O)C(=O)O[C@@H]2C[C@]3(C2=C([C@H]([C@H]4[C@@H]3CC(C4)(C)C)O)CO)C |
| InChIKey | OMAGQTXDHXASNM-RNNQDMPLSA-N |
Product Overview
Arnamiol (CAS 102092-23-9), with molecular formula C24H31ClO6 and molecular weight 450.18 g/mol. IUPAC: [(2R,4S,4aR,7aS,7bR)-4-hydroxy-3-(hydroxymethyl)-6,6,7b-trimethyl-2,4,4a,5,7,7a-hexahydro-1H-cyclobuta[e]inden-2-yl] 3-chloro-6-hydroxy-4-methoxy-2-methylbenzoate.
Chemical Property Profile of Arnamiol
Property Insights of Arnamiol
The XLogP value of 4.4 indicates that Arnamiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Arnamiol. Following Lipinski's Rule of Five, Arnamiol has 3 hydrogen bond donor(s) and 6 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 Arnamiol?
The CAS number of Arnamiol is 102092-23-9.
What is the molecular formula of Arnamiol?
The molecular formula of Arnamiol is C24H31ClO6.
What is the molecular weight of Arnamiol?
The molecular weight of Arnamiol is 450.18 g/mol.
Where can I buy Arnamiol?
You can request a quote for Arnamiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Arnamiol?
Yes, KEHONG BIO provides custom synthesis services for Arnamiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.