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CAS 55722-49-1 Ethyl 2,3,4,6-tetra-O-acetyl-1-thio-b-D-galactopyranoside molecular structure lightbox
CAS RN: 55722-49-1

Ethyl 2,3,4,6-tetra-O-acetyl-1-thio-b-D-galactopyranoside

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250102 250mg / 1g / 5g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS55722-49-1
  • Purity/Analytical Methods: >99.0%
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55722-49-1 / (3,4,5-triacetyloxy-6-ethylsulfanyloxan-2-yl)methyl acetate

Standard CAS: 55722-49-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
55722-49-1
Multi CAS
Yes
Molecular Formula
C16H24O9S
Molecular Weight
392.400000
Exact Mass
392.114104
InChI
InChI=1S/C16H24O9S/c1-6-26-16-15(24-11(5)20)14(23-10(4)19)13(22-9(3)18)12(25-16)7-21-8(2)17/h12-16H,6-7H2,1-5H3/t12-,13+,14+,15-,16+/m1/s1
InChIKey
YPNFVZQPWZMHIF-CWVYHPPDSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Fraction Csp3
0.75
Rotatable bonds
7
H-bond acceptors
10
Molar refractivity
90.09
TPSA
114.43

LogP / Solubility

WLOGP
0.82
MLOGP
0.75
XLogP3
1.8
Consensus LogP
1.12
Log S (ESOL)
-2.33
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.37
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.73
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
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)
-4.53

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5

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