CAS RN: 138182-20-4
(6-Chloro-3-indolyl)-β-D-glucuronide cyclohexylammonium salt
Product Availability
Choose a grade to view its available package options.
3 package records2 with current stock3 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250716 | 5mg / 25mg / 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | 15 business days | Inquiry |
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260205 | 5mg | Out of stock | 8-10 business days | Inquiry |
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260202 | 5mg / 25mg / 100mg | Confirm by inquiry | Shanghai | 8-10 business days | Inquiry |
- Product code: starshine_CAS138182-20-4
- Purity/Analytical Methods: >99.0%
138182-20-4 / (2S,3S,4S,5R,6S)-6-[(6-chloro-1H-indol-3-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;cyclohexanamine
Basic Information
CAS
138182-20-4
Multi CAS
No
Molecular Formula
C20H27ClN2O7
Molecular Weight
442.900000
Exact Mass
442.150679
SMILES
C1CCC(CC1)N.C1=CC2=C(C=C1Cl)NC=C2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O
InChI
InChI=1S/C14H14ClNO7.C6H13N/c15-5-1-2-6-7(3-5)16-4-8(6)22-14-11(19)9(17)10(18)12(23-14)13(20)21;7-6-4-2-1-3-5-6/h1-4,9-12,14,16-19H,(H,20,21);6H,1-5,7H2/t9-,10-,11+,12-,14+;/m0./s1
InChIKey
CGXWVPSZSVEFAI-CYRSAHDMSA-N
Computed Properties
Structural Parameters
Heavy atom count
30
Aromatic heavy atom count
9
Fraction Csp3
0.55
Rotatable bonds
3
H-bond acceptors
7
H-bond donors
6
Molar refractivity
109.31
TPSA
158.26
LogP / Solubility
WLOGP
1.37
MLOGP
1.23
XLogP3
1.37
Consensus LogP
1.32
Log S (ESOL)
-3.47
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.18
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.04
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.45
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5.5
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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