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CAS 4298-05-9 CIS-3-HYDROXY-DL-PROLINE molecular structure lightbox
CAS RN: 4298-05-9

CIS-3-HYDROXY-DL-PROLINE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250812 1g Out of stock 30 business days Inquiry
  • Product code: starshine_CAS4298-05-9
  • Purity/Analytical Methods: >99.0%
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4298-05-9 / 4-hydroxypyrrolidine-2-carboxylic acid

Standard CAS: 4298-05-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
4298-05-9
Multi CAS
Yes
Molecular Formula
C5H9NO3
Molecular Weight
131.130000
Exact Mass
131.058243
InChI
InChI=1S/C5H9NO3/c7-3-1-2-6-4(3)5(8)9/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4+/m1/s1
InChIKey
BJBUEDPLEOHJGE-DMTCNVIQSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.8
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
3
Molar refractivity
30.05
TPSA
69.56

LogP / Solubility

WLOGP
-1.21
MLOGP
-1.07
XLogP3
-3.3
Consensus LogP
-1.86
Log S (ESOL)
0.17
Class (ESOL)
Highly soluble
Log S (Ali)
0.24
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.37
Class (SILICOS-IT)
Highly 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)
-4.38

Drug-likeness / Medicinal Chemistry

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

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