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CAS 1956437-54-9 (R)-(1,4-Oxazepan-2-yl)methanol hydrochloride molecular structure lightbox
CAS RN: 1956437-54-9

(R)-(1,4-Oxazepan-2-yl)methanol hydrochloride

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4 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251125 100mg Out of stock Inquiry
Batchno.20260413 1g In stock Shanghai Inquiry
Batchno.20250623 1g Out of stock Inquiry
Batchno.20250912 250mg Out of stock Inquiry
  • Product code: starshine_CAS1956437-54-9
  • Purity/Analytical Methods: >99.0%
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1956437-54-9 / [(2R)-1,4-oxazepan-2-yl]methanol;hydrochloride

Standard CAS: 1956437-54-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1956437-54-9
Multi CAS
No
Molecular Formula
C6H14ClNO2
Molecular Weight
167.630000
Exact Mass
167.071306
SMILES
C1CNC[C@@H](OC1)CO.Cl
InChI
InChI=1S/C6H13NO2.ClH/c8-5-6-4-7-2-1-3-9-6;/h6-8H,1-5H2;1H/t6-;/m1./s1
InChIKey
TYCNWXGJJIVMOT-FYZOBXCZSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
41.56
TPSA
41.49

LogP / Solubility

WLOGP
-0.22
MLOGP
-0.2
XLogP3
-0.22
Consensus LogP
-0.21
Log S (ESOL)
-0.67
Class (ESOL)
Very soluble
Log S (Ali)
-0.78
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.69
Class (SILICOS-IT)
Very 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)
-3.9

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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