Isoxochitlolone
TL;DR: Isoxochitlolone (CAS 140670-89-9) is a chemical compound with molecular formula C18H20O2 and molecular weight 268.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(11S)-5-hydroxy-6,12,12-trimethyltricyclo[9.4.0.03,8]pentadeca-1,3(8),4,6,14-pentaen-9-one
Also Known As: Isoxochitlolone, (11S)-5-hydroxy-6,12,12-trimethyltricyclo[9.4.0.03,8]pentadeca-1,3(8),4,6,14-pentaen-9-one, 10H-Dibenzo(a,d)cyclohepten-10-one, 1,2,11,11a-tetrahydro-7-hydroxy-1,1,8-trimethyl-, (S)-, 7-Hydroxy-1,1,8-trimethyl-1,2,11,11a-tetrahydro-10H-dibenzo[a,d][7]annulen-10-one, (11aS)-7-hydroxy-1,1,8-trimethyl-1,2,11,11a-tetrahydro-10H-dibenzo[a,d][7]annulen-10-one
| Molecular Formula | C18H20O2 |
|---|---|
| Molecular Weight | 268.15 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 268.14633 |
| Heavy Atoms | 20 |
| Complexity | 472.0 |
Chemical Identifiers
| CAS Number | 140670-89-9 |
|---|---|
| SMILES | CC1=CC2=C(C=C3C=CCC([C@@H]3CC2=O)(C)C)C=C1O |
| InChIKey | MPIUDNRLVNSATN-OAHLLOKOSA-N |
Product Overview
Isoxochitlolone (CAS 140670-89-9), with molecular formula C18H20O2 and molecular weight 268.15 g/mol. IUPAC: (11S)-5-hydroxy-6,12,12-trimethyltricyclo[9.4.0.03,8]pentadeca-1,3(8),4,6,14-pentaen-9-one.
Chemical Property Profile of Isoxochitlolone
Property Insights of Isoxochitlolone
The XLogP value of 3.8 indicates that Isoxochitlolone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, Isoxochitlolone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isoxochitlolone has 1 hydrogen bond donor(s) and 2 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 Isoxochitlolone?
The CAS number of Isoxochitlolone is 140670-89-9.
What is the molecular formula of Isoxochitlolone?
The molecular formula of Isoxochitlolone is C18H20O2.
What is the molecular weight of Isoxochitlolone?
The molecular weight of Isoxochitlolone is 268.15 g/mol.
Where can I buy Isoxochitlolone?
You can request a quote for Isoxochitlolone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isoxochitlolone?
Yes, KEHONG BIO provides custom synthesis services for Isoxochitlolone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.