CAS RN: 191471-52-0
LY 379268
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.20260214 | 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS191471-52-0
- Purity/Analytical Methods: >99.0%
191471-52-0 / (1R,4R,5S,6R)-4-amino-2-oxabicyclo[3.1.0]hexane-4,6-dicarboxylic acid
Basic Information
CAS
191471-52-0
Multi CAS
No
Molecular Formula
C7H9NO5
Molecular Weight
187.150000
Exact Mass
187.048072
SMILES
C1[C@]([C@@H]2[C@H]([C@@H]2O1)C(=O)O)(C(=O)O)N
InChI
InChI=1S/C7H9NO5/c8-7(6(11)12)1-13-4-2(3(4)7)5(9)10/h2-4H,1,8H2,(H,9,10)(H,11,12)/t2-,3-,4+,7+/m1/s1
InChIKey
YASVRZWVUGJELU-MDASVERJSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Fraction Csp3
0.71
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
3
Molar refractivity
38.91
TPSA
109.85
LogP / Solubility
WLOGP
-1.5
MLOGP
-1.32
XLogP3
-4.3
Consensus LogP
-2.37
Log S (ESOL)
0.08
Class (ESOL)
Highly soluble
Log S (Ali)
-0.01
Class (Ali)
Very soluble
Log S (SILICOS-IT)
0.13
Class (SILICOS-IT)
Highly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.93
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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![CAS 191482-37-8 Phenylmethyl 2-deoxy-2-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-3-O-(phenylmethyl)-4,6-O-[(R)-phenylmethylene]-beta-D-glucopyranoside molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/191482-37-8.gif)
