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CAS 92233-55-1 Syringin pentaacetate molecular structure lightbox
CAS RN: 92233-55-1

Syringin pentaacetate

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2 package records0 with current stock2 grade groups
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Batchno.20260515 5mg Out of stock 30 business days Inquiry
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Batchno.20260321 5mg Out of stock Inquiry
  • Product code: starshine_CAS92233-55-1
  • Purity/Analytical Methods: >99.0%
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92233-55-1 / [(E)-3-[3,5-dimethoxy-4-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyphenyl]prop-2-enyl] acetate

Standard CAS: 92233-55-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
92233-55-1
Multi CAS
Yes
Molecular Formula
C27H34O14
Molecular Weight
582.500000
Exact Mass
582.194856
InChI
InChI=1S/C27H34O14/c1-14(28)35-10-8-9-19-11-20(33-6)23(21(12-19)34-7)41-27-26(39-18(5)32)25(38-17(4)31)24(37-16(3)30)22(40-27)13-36-15(2)29/h8-9,11-12,22,24-27H,10,13H2,1-7H3/b9-8+/t22-,24-,25+,26-,27+/m1/s1
InChIKey
KEQKIMKYTIOSCP-WSUMOVQPSA-N

Computed Properties

Structural Parameters

Heavy atom count
41
Aromatic heavy atom count
6
Fraction Csp3
0.52
Rotatable bonds
12
H-bond acceptors
14
Molar refractivity
137.8
TPSA
168.42

LogP / Solubility

WLOGP
1.74
MLOGP
1.58
XLogP3
1.8
Consensus LogP
1.71
Log S (ESOL)
-3.87
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.59
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.33
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.04

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6.5

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