CAS RN: 126453-07-4
(R)-CPP
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.20260209 | 25mg / 50mg / 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS126453-07-4
- Purity/Analytical Methods: >99.0%
126453-07-4 / (2R)-4-(3-phosphonopropyl)piperazine-2-carboxylic acid
Basic Information
CAS
126453-07-4
Multi CAS
No
Molecular Formula
C8H17N2O5P
Molecular Weight
252.200000
Exact Mass
252.087509
SMILES
C1CN(C[C@@H](N1)C(=O)O)CCCP(=O)(O)O
InChI
InChI=1S/C8H17N2O5P/c11-8(12)7-6-10(4-2-9-7)3-1-5-16(13,14)15/h7,9H,1-6H2,(H,11,12)(H2,13,14,15)/t7-/m1/s1
InChIKey
CUVGUPIVTLGRGI-SSDOTTSWSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Fraction Csp3
0.88
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
4
Molar refractivity
57.39
TPSA
110.1
LogP / Solubility
WLOGP
-1.09
MLOGP
-0.95
XLogP3
-6.8
Consensus LogP
-2.95
Log S (ESOL)
-0.39
Class (ESOL)
Very soluble
Log S (Ali)
-0.84
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1
Class (SILICOS-IT)
Very 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)
-5.03
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2
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