Pentomone
TL;DR: Pentomone (CAS 67102-87-8) is a chemical compound with molecular formula C24H26O5 and molecular weight 394.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5aS,6aR,12aS,13aR)-4,8-dimethoxy-6,6-dimethyl-5a,6a,12,12a,13a,14-hexahydrochromeno[3,2-b]xanthen-13-one
Also Known As: PENTOMONE, pentomona, pentomonum, PENTOMONE [INN], Pentomone [USAN:INN]
| Molecular Formula | C24H26O5 |
|---|---|
| Molecular Weight | 394.18 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 54.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 394.178 |
| Heavy Atoms | 29 |
| Complexity | 583.0 |
Chemical Identifiers
| CAS Number | 67102-87-8 |
|---|---|
| SMILES | CC1([C@@H]2[C@@H](CC3=C(O2)C(=CC=C3)OC)C(=O)[C@@H]4[C@H]1OC5=C(C4)C=CC=C5OC)C |
| InChIKey | MTJTVTZUEKVNTG-YJEDKTMASA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pentomone (CAS 67102-87-8), with molecular formula C24H26O5 and molecular weight 394.18 g/mol. IUPAC: (5aS,6aR,12aS,13aR)-4,8-dimethoxy-6,6-dimethyl-5a,6a,12,12a,13a,14-hexahydrochromeno[3,2-b]xanthen-13-one.
Chemical Property Profile of Pentomone
Property Insights of Pentomone
The XLogP value of 4.4 indicates that Pentomone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.0 Ų, Pentomone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pentomone has 0 hydrogen bond donor(s) and 5 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 Pentomone?
The CAS number of Pentomone is 67102-87-8.
What is the molecular formula of Pentomone?
The molecular formula of Pentomone is C24H26O5.
What is the molecular weight of Pentomone?
The molecular weight of Pentomone is 394.18 g/mol.
Where can I buy Pentomone?
You can request a quote for Pentomone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentomone?
Yes, KEHONG BIO provides custom synthesis services for Pentomone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.