CAS RN: 72150-21-1
-1-(benzyloxycarbonyl)piperazine-3-carboxylic acid
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock1 grade group
- Product code: starshine_CAS72150-21-1
- Purity/Analytical Methods: >99.0%
72150-21-1 / (2R)-4-phenylmethoxycarbonylpiperazine-2-carboxylic acid
Basic Information
CAS
72150-21-1
Multi CAS
Yes
Molecular Formula
C13H16N2O4
Molecular Weight
264.280000
Exact Mass
264.111007
InChI
InChI=1S/C13H16N2O4/c16-12(17)11-7-4-8-15(14-11)13(18)19-9-10-5-2-1-3-6-10/h1-3,5-6,11,14H,4,7-9H2,(H,16,17)/t11-/m1/s1
InChIKey
ZYBMAAOZXXKYTG-LLVKDONJSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
67.63
TPSA
78.87
LogP / Solubility
WLOGP
0.68
MLOGP
0.61
XLogP3
-1.7
Consensus LogP
-0.14
Log S (ESOL)
-1.94
Class (ESOL)
Soluble
Log S (Ali)
-2.22
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.3
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.85
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
Customers Also Viewed
-
BZ-PHE-NH2
- CAS RN: 72150-35-7
- Product Code: starshine_CAS72150-35-7
- Purity/Analytical method: >99.0%
-
-
BOC-AHPPA
- CAS RN: 72155-48-7
- Product Code: starshine_CAS72155-48-7
- Purity/Analytical method: >99.0%
-
-
METHACETIN-METHOXY-13C
- CAS RN: 72156-70-8
- Product Code: starshine_CAS72156-70-8
- Purity/Analytical method: >99.0%
-
