Xochitloldione
TL;DR: Xochitloldione (CAS 140670-90-2) is a chemical compound with molecular formula C18H18O3 and molecular weight 282.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8S)-14-hydroxy-7,7,13-trimethyltricyclo[9.4.0.03,8]pentadeca-1(11),2,5,12,14-pentaene-4,10-dione
Also Known As: Xochitloldione, XORPHANOL MESYLATE, (8S)-14-hydroxy-7,7,13-trimethyltricyclo[9.4.0.03,8]pentadeca-1(11),2,5,12,14-pentaene-4,10-dione, 1H-Dibenzo(a,d)cycloheptene-4,10-dione, 11,11a-dihydro-7-hydroxy-1,1,8-trimethyl-, (S)-, (11aS)-7-Hydroxy-1,1,8-trimethyl-11,11a-dihydro-1H-dibenzo[a,d][7]annulene-4,10-dione
| Molecular Formula | C18H18O3 |
|---|---|
| Molecular Weight | 282.13 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 282.12558 |
| Heavy Atoms | 21 |
| Complexity | 541.0 |
Chemical Identifiers
| CAS Number | 140670-90-2 |
|---|---|
| SMILES | CC1=CC2=C(C=C3[C@@H](CC2=O)C(C=CC3=O)(C)C)C=C1O |
| InChIKey | GRWDPEAJPRQDMG-CQSZACIVSA-N |
Product Overview
Xochitloldione (CAS 140670-90-2), with molecular formula C18H18O3 and molecular weight 282.13 g/mol. IUPAC: (8S)-14-hydroxy-7,7,13-trimethyltricyclo[9.4.0.03,8]pentadeca-1(11),2,5,12,14-pentaene-4,10-dione.
Chemical Property Profile of Xochitloldione
Property Insights of Xochitloldione
The XLogP value of 3.2 indicates that Xochitloldione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.4 Ų, Xochitloldione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Xochitloldione 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 Xochitloldione?
The CAS number of Xochitloldione is 140670-90-2.
What is the molecular formula of Xochitloldione?
The molecular formula of Xochitloldione is C18H18O3.
What is the molecular weight of Xochitloldione?
The molecular weight of Xochitloldione is 282.13 g/mol.
Where can I buy Xochitloldione?
You can request a quote for Xochitloldione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Xochitloldione?
Yes, KEHONG BIO provides custom synthesis services for Xochitloldione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.