CAS RN: 1391355-45-5
(R)-4-(1-Amino-2-hydroxyethyl)phenol hydrochloride
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260323 | 100mg / 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1391355-45-5
- Purity/Analytical Methods: >99.0%
1391355-45-5 / 4-[(1R)-1-amino-2-hydroxyethyl]phenol;hydrochloride
Basic Information
CAS
1391355-45-5
Multi CAS
No
Molecular Formula
C8H12ClNO2
Molecular Weight
189.640000
Exact Mass
189.055656
SMILES
C1=CC(=CC=C1[C@H](CO)N)O.Cl
InChI
InChI=1S/C8H11NO2.ClH/c9-8(5-10)6-1-3-7(11)4-2-6;/h1-4,8,10-11H,5,9H2;1H/t8-;/m0./s1
InChIKey
YUEKJBCPERBCDN-QRPNPIFTSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
3
Molar refractivity
49.37
TPSA
66.48
LogP / Solubility
WLOGP
0.81
MLOGP
0.71
XLogP3
0.81
Consensus LogP
0.78
Log S (ESOL)
-1.76
Class (ESOL)
Soluble
Log S (Ali)
-1.7
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.8
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.3
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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