CAS RN: 2095772-96-4
(2S)-2-AMINO-2-(3-METHOXYPHENYL)ETHAN-1-OL HCl
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.20260616 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2095772-96-4
- Purity/Analytical Methods: >99.0%
2095772-96-4 / (2S)-2-amino-2-(3-methoxyphenyl)ethanol;hydrochloride
Basic Information
CAS
2095772-96-4
Multi CAS
No
Molecular Formula
C9H14ClNO2
Molecular Weight
203.660000
Exact Mass
203.071306
SMILES
COC1=CC=CC(=C1)[C@@H](CO)N.Cl
InChI
InChI=1S/C9H13NO2.ClH/c1-12-8-4-2-3-7(5-8)9(10)6-11;/h2-5,9,11H,6,10H2,1H3;1H/t9-;/m1./s1
InChIKey
CHLMFPQGTHFLAT-SBSPUUFOSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
54.26
TPSA
55.48
LogP / Solubility
WLOGP
1.11
MLOGP
0.98
XLogP3
1.11
Consensus LogP
1.07
Log S (ESOL)
-1.95
Class (ESOL)
Soluble
Log S (Ali)
-2.03
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.26
Class (SILICOS-IT)
Moderately 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)
-3.17
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
Customers Also Viewed
-
(S)-2-Amino-2-(3-bromophenyl)ethanol hydrochloride
- CAS RN: 2095772-98-6
- Product Code: starshine_CAS2095772-98-6
- Purity/Analytical method: >99.0%
-
(2S)-2-AMINO-2-(4-BROMOPHENYL)ETHAN-1-OL HCL
- CAS RN: 2095773-02-5
- Product Code: SSC-099385
-
(1-(2-CYANOPROPAN-2-YL)-1H-PYRAZOL-4-YL)BORONIC ACID PINACOL ESTER
- CAS RN: 2095779-29-4
- Product Code: SSC-099388
-
6-chloro-2-(3,5-dimethoxyphenyl)pyridazin-3(2H)-one
- CAS RN: 2095779-74-9
- Product Code: starshine_CAS2095779-74-9
- Purity/Analytical method: >99.0%
-
DMA (trihydrochloride)
- CAS RN: 2095832-33-8
- Product Code: starshine_CAS2095832-33-8
- Purity/Analytical method: >99.0%
-
CSF1R-IN-1
- CAS RN: 2095849-04-8
- Product Code: starshine_CAS2095849-04-8
- Purity/Analytical method: >99.0%
