[email protected]
CAS 144049-72-9 6-O-Syringoylajugol molecular structure lightbox
CAS RN: 144049-72-9

6-O-Syringoylajugol

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260530 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS144049-72-9
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

144049-72-9 / [(1S,4aR,5R,7S,7aS)-7-hydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-5-yl] 4-hydroxy-3,5-dimethoxybenzoate

Standard CAS: 144049-72-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
144049-72-9
Multi CAS
No
Molecular Formula
C24H32O13
Molecular Weight
528.500000
Exact Mass
528.184291
SMILES
C[C@@]1(C[C@H]([C@H]2[C@@H]1[C@@H](OC=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)OC(=O)C4=CC(=C(C(=C4)OC)O)OC)O
InChI
InChI=1S/C24H32O13/c1-24(31)8-14(35-21(30)10-6-12(32-2)17(26)13(7-10)33-3)11-4-5-34-22(16(11)24)37-23-20(29)19(28)18(27)15(9-25)36-23/h4-7,11,14-16,18-20,22-23,25-29,31H,8-9H2,1-3H3/t11-,14+,15+,16+,18+,19-,20+,22-,23-,24-/m0/s1
InChIKey
GVBVLPSUZPTMSB-PTKOVHFESA-N

Computed Properties

Structural Parameters

Heavy atom count
37
Aromatic heavy atom count
6
Fraction Csp3
0.62
Rotatable bonds
7
H-bond acceptors
13
H-bond donors
6
Molar refractivity
121.5
TPSA
193.83

LogP / Solubility

WLOGP
-0.99
MLOGP
-0.83
XLogP3
-0.4
Consensus LogP
-0.74
Log S (ESOL)
-2.15
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.18
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.11
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-6.65

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
9.5

Customers Also Viewed

Get In Touch

Contact Us