![CAS 2682097-06-7 3-Oxabicyclo[3.1.0]hexane-1-methanamine, hydrochloride (1:1), (1R,5S)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2682097-06-7.gif)
CAS RN: 2682097-06-7
3-Oxabicyclo[3.1.0]hexane-1-methanamine, hydrochloride (1:1), (1R,5S)-
- Product code: SSC-125103
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
- Available purity: >98%
- Inventory rows with stock: 2
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
2682097-06-7 / [(1R,5S)-3-oxabicyclo[3.1.0]hexan-1-yl]methanamine;hydrochloride
Basic Information
CAS
2682097-06-7
Multi CAS
No
Molecular Formula
C6H12ClNO
Molecular Weight
149.620000
Exact Mass
149.060742
SMILES
C1[C@H]2[C@@]1(COC2)CN.Cl
InChI
InChI=1S/C6H11NO.ClH/c7-3-6-1-5(6)2-8-4-6;/h5H,1-4,7H2;1H/t5-,6-;/m1./s1
InChIKey
YVFSWYNCDCOFJK-KGZKBUQUSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
37.66
TPSA
35.25
LogP / Solubility
WLOGP
0.4
MLOGP
0.35
XLogP3
0.4
Consensus LogP
0.38
Log S (ESOL)
-0.96
Class (ESOL)
Very soluble
Log S (Ali)
-1.08
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.09
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)
-3.35
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
Customers Also Viewed
-
2-Thiazoleethanol, β-amino-, hydrochloride (1:2), (βS)-
- CAS RN: 2682097-11-4
- Product Code: starshine_CAS2682097-11-4
- Purity/Analytical method: >99.0%
-
(S)-1-(2-Chloro-4-methylphenyl)ethan-1-amine hydrochloride
- CAS RN: 2682097-28-3
- Product Code: starshine_CAS2682097-28-3
- Purity/Analytical method: >99.0%
-
(S)-2-((S)-2-Amino-5-guanidinopentanamido)-5-guanidinopentanoic acid trifluoroacetate
- CAS RN: 2682097-30-7
- Product Code: starshine_CAS2682097-30-7
- Purity/Analytical method: >99.0%
-
INDEX NAME NOT YET ASSIGNED
- CAS RN: 2682097-49-8
- Product Code: starshine_CAS2682097-49-8
- Purity/Analytical method: >99.0%
-
(R)-2-Aminonon-8-enoic acid hydrochloride
- CAS RN: 2682097-51-2
- Product Code: starshine_CAS2682097-51-2
- Purity/Analytical method: >99.0%
-
2-Thiophenemethanamine, 4-bromo-α-methyl-, hydrochloride (1:1), (αS)-
- CAS RN: 2682097-56-7
- Product Code: starshine_CAS2682097-56-7
- Purity/Analytical method: >99.0%
