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CAS 1048962-49-7 (Meso-1R,5S,6r)-3-Oxabicyclo[3.1.0]Hexan-6-endo-Amine Hydrochloride molecular structure lightbox
CAS RN: 1048962-49-7

(Meso-1R,5S,6r)-3-Oxabicyclo[3.1.0]Hexan-6-endo-Amine Hydrochloride

  • Product code: SSC-006627
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g, 5g
  • Available purity: >95%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1048962-49-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 2 In Stock Shenzhen Inquiry
0.25g >95% 2 In Stock Shenzhen Inquiry
1g >95% 2 In Stock Hong Kong Inquiry
5g >95% 2 In Stock Beijing Inquiry

1048962-49-7 / (1S,5R)-3-oxabicyclo[3.1.0]hexan-6-amine;hydrochloride

(1S,5S)-3-oxabicyclo[3.1.0]hexan-6-amine;hydrochloride | SCHEMBL1583527 | AKOS026743840

Standard CAS: 1048962-49-7 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1048962-49-7
Multi CAS
Yes
Molecular Formula
C5H10ClNO
Molecular Weight
135.590000
Exact Mass
135.045092
SMILES
C1[C@@H]2[C@@H](C2N)CO1.Cl
InChI
InChI=1S/C5H9NO.ClH/c6-5-3-1-7-2-4(3)5;/h3-5H,1-2,6H2;1H/t3-,4+,5?;
InChIKey
JCFIYVURKHIYFF-FLGDEJNQSA-N
Synonyms
(1S,5S)-3-oxabicyclo[3.1.0]hexan-6-amine;hydrochloride SCHEMBL1583527 AKOS026743840

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
33.02
TPSA
35.25

LogP / Solubility

WLOGP
0.01
XLogP3
0.01
Consensus LogP
0.01
Log S (ESOL)
-0.69
Class (ESOL)
Very soluble
Log S (Ali)
-0.68
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.55
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)
-3.54

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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] H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
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 P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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