Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: >95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | >95% | 0 Out of Stock | Hong Kong | Inquiry |
997-05-7 / 2-[(2-amino-4-methylpentanoyl)amino]acetic acid
Basic Information
CAS
997-05-7
Multi CAS
Yes
Molecular Formula
C8H16N2O3
Molecular Weight
188.220000
Exact Mass
188.116092
InChI
InChI=1S/C8H16N2O3/c1-5(2)3-6(9)8(13)10-4-7(11)12/h5-6H,3-4,9H2,1-2H3,(H,10,13)(H,11,12)
InChIKey
LESXFEZIFXFIQR-UHFFFAOYSA-N
Physical Properties
Physical Description
Solid
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
13
Fraction Csp3
0.75
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
3
Molar refractivity
48.08
TPSA
92.42
LogP / Solubility
WLOGP
-0.44
MLOGP
-0.39
XLogP3
-2.3
Consensus LogP
-1.04
Log S (ESOL)
-0.4
Class (ESOL)
Very soluble
Log S (Ali)
-0.79
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.12
Class (SILICOS-IT)
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)
-4.18
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
Customers Also Viewed
-
Potassium hydrogen 2-oxoglutarate
- CAS RN: 997-43-3
- Product Code: starshine_CAS997-43-3
- Purity/Analytical method: >99.0%
-
-
N-NITROSODIISOBUTYLAMINE
- CAS RN: 997-95-5
- Product Code: starshine_CAS997-95-5
- Purity/Analytical method: >99.0%
-
-
-
