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CAS 75176-09-9 (2S,4R)-4-Methoxyproline molecular structure lightbox
CAS RN: 75176-09-9

(2S,4R)-4-Methoxyproline

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251209 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS75176-09-9
  • Purity/Analytical Methods: >99.0%
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75176-09-9 / 4-methoxypyrrolidine-2-carboxylic acid

Standard CAS: 75176-09-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
75176-09-9
Multi CAS
Yes
Molecular Formula
C6H11NO3
Molecular Weight
145.160000
Exact Mass
145.073893
InChI
InChI=1S/C6H11NO3/c1-10-4-2-5(6(8)9)7-3-4/h4-5,7H,2-3H2,1H3,(H,8,9)/t4-,5+/m1/s1
InChIKey
RNXKXUOGQKYKTH-UHNVWZDZSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.83
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
34.84
TPSA
58.56

LogP / Solubility

WLOGP
-0.55
MLOGP
-0.49
XLogP3
-2.8
Consensus LogP
-1.28
Log S (ESOL)
-0.26
Class (ESOL)
Very soluble
Log S (Ali)
-0.35
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.39
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
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)
-4

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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