CAS RN: 1141777-14-1
(R)-3-amino-1-(3-(cyclohexylmethoxy)phenyl)propan-1-ol
Product Availability
Choose a grade to view its available package options.
3 package records0 with current stock1 grade group
- Product code: starshine_CAS1141777-14-1
- Purity/Analytical Methods: >99.0%
1141777-14-1 / (1R)-3-amino-1-[3-(cyclohexylmethoxy)phenyl]propan-1-ol
EMIXUSTAT | (1R)-3-amino-1-[3-(cyclohexylmethoxy)phenyl]propan-1-ol | ACU-4429
Basic Information
CAS
1141777-14-1
Multi CAS
Yes
Molecular Formula
C16H25NO2
Molecular Weight
263.370000
Exact Mass
263.188529
SMILES
C1CCC(CC1)COC2=CC=CC(=C2)[C@@H](CCN)O
InChI
InChI=1S/C16H25NO2/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/t16-/m1/s1
InChIKey
WJIGGYYSZBWCGC-MRXNPFEDSA-N
Synonyms
EMIXUSTAT
(1R)-3-amino-1-[3-(cyclohexylmethoxy)phenyl]propan-1-ol
ACU-4429
02DZ1HBF0M
DTXSID50150665
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.62
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
2
Molar refractivity
77.14
TPSA
55.48
LogP / Solubility
WLOGP
3.03
MLOGP
2.67
XLogP3
2.8
Consensus LogP
2.83
Log S (ESOL)
-3.22
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.91
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.61
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)
-2.18
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
Customers Also Viewed
-
1-(Tetrahydro-2H-pyran-2-yl)-3-(trifluoromethyl)-1H-pyrazol-5-ylboronic acid
- CAS RN: 1141878-45-6
- Product Code: SSC-014052
-
-
-
4-Aminomethyl-3-trifluoromethyl-benzonitrile
- CAS RN: 1141894-75-8
- Product Code: SSC-014056
-
Emixustat hydrochloride
- CAS RN: 1141934-97-5
- Product Code: starshine_CAS1141934-97-5
- Purity/Analytical method: >99.0%
-
tert-butyl 4-oxo-3,4,5,6-tetrahydropyrido[3,4-d]pyriMidine-7(8H)-carboxylate
- CAS RN: 1142188-60-0
- Product Code: SSC-014075
![CAS 1142188-60-0 tert-butyl 4-oxo-3,4,5,6-tetrahydropyrido[3,4-d]pyriMidine-7(8H)-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1142188-60-0.gif)