![CAS 138182-21-5 6-Chloro-3-indolyl β-D-Galactopyranoside [for Biochemical Research] molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/c2371-jpgcontextbwfzdgvyfhjvb3r8mze4ntv8aw1hz2uvanblz3xoy2uvagyxlzg5mjk1ntgxmzq4mtqvqziznzeuanbnfgyyztbly2jhzgi2mgjkymriowvmnjg4yje0mgu5mwy3zgzhywfiodiynzgymzg0zwfmymezy2q1mzu3ogi1ngi.jpeg)
CAS RN: 138182-21-5
6-Chloro-3-indolyl β-D-Galactopyranoside [for Biochemical Research]
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251106 | 20mg / 100mg / 500mg / 1g | Confirm by inquiry | Shanghai, Guangdong, Shandong | Inquiry |
- Product code: ICTC2371
- Purity/Analytical Methods: >98.0%(HPLC)
138182-21-5 / (2S,3R,4S,5R,6R)-2-[(6-chloro-1H-indol-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Basic Information
CAS
138182-21-5
Multi CAS
No
Molecular Formula
C14H16ClNO6
Molecular Weight
329.730000
Exact Mass
329.066615
SMILES
C1=CC2=C(C=C1Cl)NC=C2O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O
InChI
InChI=1S/C14H16ClNO6/c15-6-1-2-7-8(3-6)16-4-9(7)21-14-13(20)12(19)11(18)10(5-17)22-14/h1-4,10-14,16-20H,5H2/t10-,11+,12+,13-,14-/m1/s1
InChIKey
OQWBAXBVBGNSPW-MBJXGIAVSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
9
Fraction Csp3
0.43
Rotatable bonds
3
H-bond acceptors
6
H-bond donors
5
Molar refractivity
77.7
TPSA
115.17
LogP / Solubility
MLOGP
0.02
XLogP3
0.5
Consensus LogP
0.17
Log S (ESOL)
-1.99
Class (ESOL)
Soluble
Log S (Ali)
-2.26
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.16
Class (SILICOS-IT)
Moderately 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)
-4.73
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
5
Safety & Transport
GHS Hazard Statements
Not Classified
Reported as not meeting GHS hazard criteria by 1 of 1 companies. For more detailed information, please visit ECHA C&L website.
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