CAS RN: 1810074-79-3
(S)-2-aMino-2-(4-chloro-3-(trifluoroMethyl)phenyl)ethanol hydrochloride
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251204 | 250mg | In stock | Shanghai | Inquiry |
- Product code: SSC-082329
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
1810074-79-3 / (2S)-2-amino-2-[4-chloro-3-(trifluoromethyl)phenyl]ethanol;hydrochloride
Basic Information
CAS
1810074-79-3
Multi CAS
No
Molecular Formula
C9H10Cl2F3NO
Molecular Weight
276.080000
Exact Mass
275.009154
SMILES
C1=CC(=C(C=C1[C@@H](CO)N)C(F)(F)F)Cl.Cl
InChI
InChI=1S/C9H9ClF3NO.ClH/c10-7-2-1-5(8(14)4-15)3-6(7)9(11,12)13;/h1-3,8,15H,4,14H2;1H/t8-;/m1./s1
InChIKey
XPQKDXIKGYSXEY-DDWIOCJRSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
57.72
TPSA
46.25
LogP / Solubility
WLOGP
2.77
MLOGP
2.45
XLogP3
2.77
Consensus LogP
2.66
Log S (ESOL)
-3.44
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.83
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4
Class (SILICOS-IT)
Poorly 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)
-2.44
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
-
(R)-2-Amino-3-(4-(trifluoromethoxy)phenyl)propanoic acid hydrochloride
- CAS RN: 1810074-80-6
- Product Code: starshine_CAS1810074-80-6
- Purity/Analytical method: >99.0%
-
(S)-5-Bromo-1,2,3,4-tetrahydronaphthalen-1-amine hydrochloride
- CAS RN: 1810074-82-8
- Product Code: SSC-082330
-
(S)-4-Amino-4-phenylbutan-1-ol hydrochloride
- CAS RN: 1810074-83-9
- Product Code: starshine_CAS1810074-83-9
- Purity/Analytical method: >99.0%
-
(R)-2-Amino-2-(3,4-dichlorophenyl)ethanol hydrochloride
- CAS RN: 1810074-84-0
- Product Code: starshine_CAS1810074-84-0
- Purity/Analytical method: >99.0%
-
(S)-Methyl 2-amino-3-(5-chloropyridin-2-yl)propanoate hydrochloride
- CAS RN: 1810074-86-2
- Product Code: starshine_CAS1810074-86-2
- Purity/Analytical method: >99.0%
-
(R)-1-(3-Chloro-4-(trifluoromethyl)phenyl)ethanamine hydrochloride
- CAS RN: 1810074-87-3
- Product Code: starshine_CAS1810074-87-3
- Purity/Analytical method: >99.0%
