CAS RN: 1141934-97-5
Emixustat hydrochloride
Product Availability
Choose a grade to view its available package options.
7 package records6 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250830 | 100mg | Out of stock | Inquiry | |
| Batchno.20260329 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20250912 | 1mg | In stock | Shanghai | Inquiry |
| Batchno.20260122 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20251219 | 2mg | In stock | Shanghai | Inquiry |
| Batchno.20250525 | 50mg | In stock | Shanghai, Shenzhen | Inquiry |
| Batchno.20250309 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS1141934-97-5
- Purity/Analytical Methods: >99.0%
1141934-97-5 / (1R)-3-amino-1-[3-(cyclohexylmethoxy)phenyl]propan-1-ol;hydrochloride
EMIXUSTAT HYDROCHLORIDE | ACU-4429 HCl | Emixustat Hydrochloride [USAN]
Basic Information
CAS
1141934-97-5
Multi CAS
Yes
Molecular Formula
C16H26ClNO2
Molecular Weight
299.830000
Exact Mass
299.165207
SMILES
C1CCC(CC1)COC2=CC=CC(=C2)[C@@H](CCN)O.Cl
InChI
InChI=1S/C16H25NO2.ClH/c17-10-9-16(18)14-7-4-8-15(11-14)19-12-13-5-2-1-3-6-13;/h4,7-8,11,13,16,18H,1-3,5-6,9-10,12,17H2;1H/t16-;/m1./s1
InChIKey
BPZWRYOUJMDQSY-PKLMIRHRSA-N
Synonyms
EMIXUSTAT HYDROCHLORIDE
ACU-4429 HCl
Emixustat Hydrochloride [USAN]
UNII-AP4OF2M98B
AP4OF2M98B
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.62
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
2
Molar refractivity
84.39
TPSA
55.48
LogP / Solubility
WLOGP
3.45
MLOGP
3.05
XLogP3
3.45
Consensus LogP
3.32
Log S (ESOL)
-3.7
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.51
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.19
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.1
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
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