[email protected]
CAS 89706-39-8 7-O-Acetyl-4-O-demethylpolysyphorin molecular structure lightbox
CAS RN: 89706-39-8

7-O-Acetyl-4-O-demethylpolysyphorin

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250929 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS89706-39-8
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

89706-39-8 / [(1S,2R)-2-[2,6-dimethoxy-4-[(E)-prop-1-enyl]phenoxy]-1-(4-hydroxy-3,5-dimethoxyphenyl)propyl] acetate

Standard CAS: 89706-39-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
89706-39-8
Multi CAS
Yes
Molecular Formula
C24H30O8
Molecular Weight
446.500000
Exact Mass
446.194068
InChI
InChI=1S/C24H30O8/c1-8-9-16-10-20(29-6)24(21(11-16)30-7)31-14(2)23(32-15(3)25)17-12-18(27-4)22(26)19(13-17)28-5/h8-14,23,26H,1-7H3/b9-8+/t14-,23-/m1/s1
InChIKey
HLYFNJXUVYHODL-JXYMISIXSA-N

Computed Properties

Structural Parameters

Heavy atom count
32
Aromatic heavy atom count
12
Fraction Csp3
0.38
Rotatable bonds
10
H-bond acceptors
8
H-bond donors
1
Molar refractivity
120.06
TPSA
92.68

LogP / Solubility

WLOGP
4.53
MLOGP
4.02
XLogP3
4.3
Consensus LogP
4.28
Log S (ESOL)
-5.08
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.49
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.52
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
3.5

Customers Also Viewed

Get In Touch

Contact Us