CAS RN: 85797-13-3
(+/-)-2-AMINO-7-PHOSPHONOHEPTANOIC
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.20260425 | 10mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS85797-13-3
- Purity/Analytical Methods: >99.0%
85797-13-3 / 2-amino-7-phosphonoheptanoic acid
Basic Information
CAS
85797-13-3
Multi CAS
No
Molecular Formula
C7H16NO5P
Molecular Weight
225.180000
Exact Mass
225.076610
InChI
InChI=1S/C7H16NO5P/c8-6(7(9)10)4-2-1-3-5-14(11,12)13/h6H,1-5,8H2,(H,9,10)(H2,11,12,13)
InChIKey
MYDMWESTDPJANS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Fraction Csp3
0.86
Rotatable bonds
7
H-bond acceptors
3
H-bond donors
4
Molar refractivity
50.99
TPSA
120.85
LogP / Solubility
WLOGP
0.14
MLOGP
0.12
XLogP3
-3.6
Consensus LogP
-1.11
Log S (ESOL)
-0.86
Class (ESOL)
Very soluble
Log S (Ali)
-1.5
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.08
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
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
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2
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