CAS RN: 2170771-47-6
Piperacillin Impurity
Product Availability
Available package options are listed below.
1 package records0 with current stock
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250607 | 25mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS2170771-47-6
- Purity/Analytical Methods: >99.0%
2170771-47-6 / 2-[[(2R)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-phenylacetyl]amino]acetic acid
Basic Information
CAS
2170771-47-6
Multi CAS
No
Molecular Formula
C17H20N4O6
Molecular Weight
376.400000
Exact Mass
376.138284
SMILES
CCN1CCN(C(=O)C1=O)C(=O)N[C@H](C2=CC=CC=C2)C(=O)NCC(=O)O
InChI
InChI=1S/C17H20N4O6/c1-2-20-8-9-21(16(26)15(20)25)17(27)19-13(11-6-4-3-5-7-11)14(24)18-10-12(22)23/h3-7,13H,2,8-10H2,1H3,(H,18,24)(H,19,27)(H,22,23)/t13-/m1/s1
InChIKey
ZMYFGCMGEPNTDP-CYBMUJFWSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
6
Fraction Csp3
0.35
Rotatable bonds
6
H-bond acceptors
5
H-bond donors
3
Molar refractivity
92.33
TPSA
136.12
LogP / Solubility
WLOGP
-0.67
MLOGP
-0.57
XLogP3
0.6
Consensus LogP
-0.21
Log S (ESOL)
-1.52
Class (ESOL)
Soluble
Log S (Ali)
-2.16
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.27
Class (SILICOS-IT)
Moderately 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)
-5.49
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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