[email protected]
CAS 1314961-82-4 1,4-oxazepan-6-ol hydrochloride molecular structure lightbox
CAS RN: 1314961-82-4

1,4-oxazepan-6-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.20250822 100mg / 250mg / 500mg Out of stock 1 business days Inquiry
  • Product code: starshine_CAS1314961-82-4
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1314961-82-4 / 1,4-oxazepan-6-ol;hydrochloride

Standard CAS: 1314961-82-4 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1314961-82-4
Multi CAS
No
Molecular Formula
C5H12ClNO2
Molecular Weight
153.610000
Exact Mass
153.055656
SMILES
C1COCC(CN1)O.Cl
InChI
InChI=1S/C5H11NO2.ClH/c7-5-3-6-1-2-8-4-5;/h5-7H,1-4H2;1H
InChIKey
LWNKGZVEMLSTPV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
36.94
TPSA
41.49

LogP / Solubility

WLOGP
-0.61
MLOGP
-0.54
XLogP3
-0.61
Consensus LogP
-0.59
Log S (ESOL)
-0.41
Class (ESOL)
Very soluble
Log S (Ali)
-0.38
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.15
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
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)
-4.09

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Customers Also Viewed

Get In Touch

Contact Us