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CAS 85227-98-1 H-PRO-ASP-OH molecular structure lightbox
CAS RN: 85227-98-1

H-PRO-ASP-OH

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250823 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS85227-98-1
  • Purity/Analytical Methods: >99.0%
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85227-98-1 / 2-(pyrrolidine-2-carbonylamino)butanedioic acid

Standard CAS: 85227-98-1 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
85227-98-1
Multi CAS
Yes
Molecular Formula
C9H14N2O5
Molecular Weight
230.220000
Exact Mass
230.090272
InChI
InChI=1S/C9H14N2O5/c12-7(13)4-6(9(15)16)11-8(14)5-2-1-3-10-5/h5-6,10H,1-4H2,(H,11,14)(H,12,13)(H,15,16)/t5-,6-/m0/s1
InChIKey
GLEOIKLQBZNKJZ-WDSKDSINSA-N

Physical Properties

Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.67
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
4
Molar refractivity
52.84
TPSA
115.73

LogP / Solubility

WLOGP
-1.22
MLOGP
-1.07
XLogP3
-4.6
Consensus LogP
-2.3
Log S (ESOL)
-0.17
Class (ESOL)
Very soluble
Log S (Ali)
-0.57
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.75
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)
-4.99

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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