[email protected]
CAS 2102410-90-0 (R)-2-AMINO-3-(4-FLUOROPHENYL)PROPAN-1-OL HYDROCHLORIDE molecular structure lightbox
CAS RN: 2102410-90-0

(R)-2-AMINO-3-(4-FLUOROPHENYL)PROPAN-1-OL HYDROCHLORIDE

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260524 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS2102410-90-0
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

2102410-90-0 / (2R)-2-amino-3-(4-fluorophenyl)propan-1-ol;hydrochloride

Standard CAS: 2102410-90-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2102410-90-0
Multi CAS
No
Molecular Formula
C9H13ClFNO
Molecular Weight
205.660000
Exact Mass
205.066970
SMILES
C1=CC(=CC=C1C[C@H](CO)N)F.Cl
InChI
InChI=1S/C9H12FNO.ClH/c10-8-3-1-7(2-4-8)5-9(11)6-12;/h1-4,9,12H,5-6,11H2;1H/t9-;/m1./s1
InChIKey
CJNPZBLHJLXNSC-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
2
H-bond donors
2
Molar refractivity
52.41
TPSA
46.25

LogP / Solubility

WLOGP
1.11
MLOGP
0.98
XLogP3
1.11
Consensus LogP
1.07
Log S (ESOL)
-1.96
Class (ESOL)
Soluble
Log S (Ali)
-2.05
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.28
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)
-3.19

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