CAS RN: 164916-44-3
3-Furancarboxylicacid,4-aminotetrahydro-,(3R,4S)-rel-(9CI)
- Product code: SSC-072076
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
- Available purity: >97%
- 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.
164916-44-3 / (3R,4S)-4-aminooxolane-3-carboxylic acid
Basic Information
CAS
164916-44-3
Multi CAS
No
Molecular Formula
C5H9NO3
Molecular Weight
131.130000
Exact Mass
131.058243
SMILES
C1[C@@H]([C@@H](CO1)N)C(=O)O
InChI
InChI=1S/C5H9NO3/c6-4-2-9-1-3(4)5(7)8/h3-4H,1-2,6H2,(H,7,8)/t3-,4+/m0/s1
InChIKey
ACCUSSMGNVVSBC-IUYQGCFVSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
0.8
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
29.92
TPSA
72.55
LogP / Solubility
WLOGP
-0.96
MLOGP
-0.85
XLogP3
-3.2
Consensus LogP
-1.67
Log S (ESOL)
0.01
Class (ESOL)
Highly soluble
Log S (Ali)
0.05
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.16
Class (SILICOS-IT)
Highly 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)
-4.2
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
-
cis-Methyl 4-N-Boc-amino-pyrrolidine-3-carboxylate
- CAS RN: 164916-49-8
- Product Code: SSC-072077
-
(CIS)-1-BENZYL 2-METHYL 4-OXOCYCLOPENTANE-1,2-DICARBOXYLATE
- CAS RN: 164916-54-5
- Product Code: starshine_CAS164916-54-5
- Purity/Analytical method: >99.0%
-
-
(1R,2R)-(-)-[1,2-CYCLOHEXANEDIAMINO-N N’-BIS(3,5-DI-T-BUTYLSALICYLIDENE)]CHROMIUM (III) CHLORIDE
- CAS RN: 164931-83-3
- Product Code: SSC-072085
-
6-Oxa-3-azabicyclo[3.1.0]hexane, 3-(trifluoroacetyl)- (9CI)
- CAS RN: 164931-85-5
- Product Code: SSC-072086
-
![CAS 164931-83-3 (1R,2R)-(-)-[1,2-CYCLOHEXANEDIAMINO-N N’-BIS(3,5-DI-T-BUTYLSALICYLIDENE)]CHROMIUM (III) CHLORIDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/164931-83-3.gif)
![CAS 164931-85-5 6-Oxa-3-azabicyclo[3.1.0]hexane, 3-(trifluoroacetyl)- (9CI) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/164931-85-5.gif)
