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CAS 2920179-12-8 (R)-2-Amino-3-(1-bicyclo[1.1.1]pentanyl)propan-1-ol hydrochloride molecular structure lightbox
CAS RN: 2920179-12-8

(R)-2-Amino-3-(1-bicyclo[1.1.1]pentanyl)propan-1-ol hydrochloride

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251022 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
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2920179-12-8 / (2R)-2-amino-3-(1-bicyclo[1.1.1]pentanyl)propan-1-ol;hydrochloride

(2R)-2-AMINO-3-(1-BICYCLO[1.1.1]PENTANYL)PROPAN-1-OL HYDROCHLORIDE | (2R)-2-amino-3-(1-bicyclo[1.1.1]pentanyl)propan-1-ol;hydrochloride | MFCD34791476

Standard CAS: 2920179-12-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
2920179-12-8
Multi CAS
Yes
Molecular Formula
C8H16CLNO
Molecular Weight
177.670000
Exact Mass
177.092042
SMILES
C1C2CC1(C2)CC(CO)N.Cl
InChI
InChI=1S/C8H15NO.ClH/c9-7(5-10)4-8-1-6(2-8)3-8;/h6-7,10H,1-5,9H2;1H/t6?,7-,8?;/m1./s1
InChIKey
IFTSSTISZNTCSD-PSQCCDSISA-N
Synonyms
(2R)-2-AMINO-3-(1-BICYCLO[1.1.1]PENTANYL)PROPAN-1-OL HYDROCHLORIDE (2R)-2-amino-3-(1-bicyclo[1.1.1]pentanyl)propan-1-ol;hydrochloride MFCD34791476 F98124 F568411

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
46.7
TPSA
46.25

LogP / Solubility

WLOGP
0.92
MLOGP
0.81
XLogP3
0.92
Consensus LogP
0.88
Log S (ESOL)
-1.32
Class (ESOL)
Soluble
Log S (Ali)
-1.68
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.94
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)
-3.15

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4

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