[email protected]
CAS 1956434-83-5 (R)-2-Amino-2-(3,5-difluorophenyl)ethanol hydrochloride molecular structure lightbox
CAS RN: 1956434-83-5

(R)-2-Amino-2-(3,5-difluorophenyl)ethanol hydrochloride

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250523 250mg In stock Shanghai Inquiry
  • Product code: starshine_CAS1956434-83-5
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1956434-83-5 / (2R)-2-amino-2-(3,5-difluorophenyl)ethanol;hydrochloride

Standard CAS: 1956434-83-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1956434-83-5
Multi CAS
No
Molecular Formula
C8H10ClF2NO
Molecular Weight
209.620000
Exact Mass
209.041898
SMILES
C1=C(C=C(C=C1F)F)[C@H](CO)N.Cl
InChI
InChI=1S/C8H9F2NO.ClH/c9-6-1-5(8(11)4-12)2-7(10)3-6;/h1-3,8,12H,4,11H2;1H/t8-;/m0./s1
InChIKey
NFBOQSJNFZSBBC-QRPNPIFTSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
47.62
TPSA
46.25

LogP / Solubility

WLOGP
1.38
MLOGP
1.21
XLogP3
1.38
Consensus LogP
1.32
Log S (ESOL)
-2.22
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.27
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.41
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)
-3.02

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

Get In Touch

Contact Us