[email protected]
CAS 4613-78-9 BETA-GENTIOBIOSE OCTAACETATE molecular structure lightbox
CAS RN: 4613-78-9

BETA-GENTIOBIOSE OCTAACETATE

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250324 100mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS4613-78-9
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

4613-78-9 / [3,4,5-triacetyloxy-6-[(3,4,5,6-tetraacetyloxyoxan-2-yl)methoxy]oxan-2-yl]methyl acetate

Standard CAS: 4613-78-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
4613-78-9
Multi CAS
Yes
Molecular Formula
C28H38O19
Molecular Weight
678.600000
Exact Mass
678.200729
InChI
InChI=1S/C28H38O19/c1-11(29)37-9-19-21(39-12(2)30)23(41-14(4)32)25(43-16(6)34)27(46-19)38-10-20-22(40-13(3)31)24(42-15(5)33)26(44-17(7)35)28(47-20)45-18(8)36/h19-28H,9-10H2,1-8H3/t19-,20-,21-,22-,23+,24+,25-,26-,27-,28-/m1/s1
InChIKey
GNTLGGDVHFXGLI-QACPWNKNSA-N

Computed Properties

Structural Parameters

Heavy atom count
47
Fraction Csp3
0.71
Rotatable bonds
12
H-bond acceptors
19
Molar refractivity
145
TPSA
238.09

LogP / Solubility

WLOGP
-0.83
MLOGP
-0.67
XLogP3
0.2
Consensus LogP
-0.43
Log S (ESOL)
-2.73
Class (ESOL)
Moderately soluble
Log S (Ali)
-4.52
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.82
Class (SILICOS-IT)
Slightly soluble

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)
-7.45

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
9

Customers Also Viewed

Get In Touch

Contact Us