![CAS 200006-66-2 (1R,2R,5S)-rel-Methyl 3-azabicyclo[3.1.0]hexane-2-carboxylate hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/200006-66-2.gif)
CAS RN: 200006-66-2
(1R,2R,5S)-rel-Methyl 3-azabicyclo[3.1.0]hexane-2-carboxylate hydrochloride
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250517 | 500mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS200006-66-2
- Purity/Analytical Methods: >99.0%
200006-66-2 / methyl (1R,2R,5S)-3-azabicyclo[3.1.0]hexane-2-carboxylate;hydrochloride
Basic Information
CAS
200006-66-2
Multi CAS
No
Molecular Formula
C7H12ClNO2
Molecular Weight
177.630000
Exact Mass
177.055656
SMILES
COC(=O)[C@H]1[C@@H]2C[C@@H]2CN1.Cl
InChI
InChI=1S/C7H11NO2.ClH/c1-10-7(9)6-5-2-4(5)3-8-6;/h4-6,8H,2-3H2,1H3;1H/t4-,5-,6-;/m1./s1
InChIKey
WYQMWVWFYJQAIB-RWOHWRPJSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.86
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
42.65
TPSA
38.33
LogP / Solubility
WLOGP
0.19
MLOGP
0.16
XLogP3
0.19
Consensus LogP
0.18
Log S (ESOL)
-0.99
Class (ESOL)
Very soluble
Log S (Ali)
-1.15
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)
-3.67
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
Customers Also Viewed
-
-
RESISTOMYCIN
- CAS RN: 20004-62-0
- Product Code: starshine_CAS20004-62-0
- Purity/Analytical method: >99.0%
-
-
L-771688
- CAS RN: 200050-59-5
- Product Code: starshine_CAS200050-59-5
- Purity/Analytical method: >99.0%
-
-
