CAS RN: 1115270-63-7
IAXO-102
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250409 | 10mg | In stock | Shanghai | Inquiry | |
| Batchno.20250711 | 1mg | In stock | Shanghai | Inquiry | |
| Batchno.20250113 | 1mg / 5mg | Out of stock | 5-7 business days | Inquiry | |
| Batchno.20250721 | 50mg | In stock | Shanghai, Wuhan | Inquiry | |
| Batchno.20260328 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS1115270-63-7
- Purity/Analytical Methods: >99.0%
1115270-63-7 / (2R,3R,4S,5R,6S)-2-(aminomethyl)-6-methoxy-4,5-di(tetradecoxy)oxan-3-ol
IAXO-102 | CID 25222900 | (2R,3R,4S,5R,6S)-2-(aminomethyl)-6-methoxy-4,5-di(tetradecoxy)oxan-3-ol
Basic Information
CAS
1115270-63-7
Multi CAS
Yes
Molecular Formula
C35H71NO5
Molecular Weight
585.900000
Exact Mass
585.533224
SMILES
CCCCCCCCCCCCCCO[C@H]1[C@@H]([C@H](O[C@@H]([C@@H]1OCCCCCCCCCCCCCC)OC)CN)O
InChI
InChI=1S/C35H71NO5/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-39-33-32(37)31(30-36)41-35(38-3)34(33)40-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h31-35,37H,4-30,36H2,1-3H3/t31-,32-,33+,34-,35+/m1/s1
InChIKey
DJVFNDPRLMVKKO-KJQSSVQNSA-N
Synonyms
IAXO-102
CID 25222900
(2R,3R,4S,5R,6S)-2-(aminomethyl)-6-methoxy-4,5-di(tetradecoxy)oxan-3-ol
Methyl 6-amino-6-deoxy-2,3-di-O-tetradecyl-alpha-D-glucopyranoside
CHEMBL493017
Computed Properties
Structural Parameters
Heavy atom count
41
Fraction Csp3
1
Rotatable bonds
30
H-bond acceptors
6
H-bond donors
2
Molar refractivity
172.37
TPSA
83.17
LogP / Solubility
WLOGP
8.85
MLOGP
7.83
XLogP3
12.1
Consensus LogP
9.59
Log S (ESOL)
-7.07
Class (ESOL)
Insoluble
Log S (Ali)
-10.75
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-14.41
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
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.01
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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