[email protected]
CAS 1222077-25-9 Pleionesin C molecular structure lightbox
CAS RN: 1222077-25-9

Pleionesin C

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250625 5mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS1222077-25-9
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1222077-25-9 / [(2R,3S)-7-hydroxy-2-(3-hydroxy-5-methoxyphenyl)-10-methoxy-2,3,4,5-tetrahydronaphtho[2,1-e][1]benzofuran-3-yl]methyl acetate

Standard CAS: 1222077-25-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1222077-25-9
Multi CAS
No
Molecular Formula
C27H26O7
Molecular Weight
462.500000
Exact Mass
462.167853
SMILES
CC(=O)OC[C@H]1[C@@H](OC2=CC(=C3C(=C12)CCC4=C3C=CC(=C4)O)OC)C5=CC(=CC(=C5)OC)O
InChI
InChI=1S/C27H26O7/c1-14(28)33-13-22-26-21-6-4-15-8-17(29)5-7-20(15)25(21)23(32-3)12-24(26)34-27(22)16-9-18(30)11-19(10-16)31-2/h5,7-12,22,27,29-30H,4,6,13H2,1-3H3/t22-,27+/m1/s1
InChIKey
LFRNTYWMIQASDG-AMGIVPHBSA-N

Computed Properties

Structural Parameters

Heavy atom count
34
Aromatic heavy atom count
18
Fraction Csp3
0.3
Rotatable bonds
5
H-bond acceptors
7
H-bond donors
2
Molar refractivity
124.9
TPSA
94.45

LogP / Solubility

WLOGP
4.66
MLOGP
4.13
XLogP3
4.3
Consensus LogP
4.36
Log S (ESOL)
-5.71
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.72
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.13
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.23

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4.5

Customers Also Viewed

Get In Touch

Contact Us