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CAS 23500-10-9 CHLOROAC-PRO-OH molecular structure lightbox
CAS RN: 23500-10-9

CHLOROAC-PRO-OH

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250624 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS23500-10-9
  • Purity/Analytical Methods: >99.0%
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23500-10-9 / 1-(2-chloroacetyl)pyrrolidine-2-carboxylic acid

Standard CAS: 23500-10-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
23500-10-9
Multi CAS
No
Molecular Formula
C7H10ClNO3
Molecular Weight
191.610000
Exact Mass
191.034921
SMILES
C1CC(N(C1)C(=O)CCl)C(=O)O
InChI
InChI=1S/C7H10ClNO3/c8-4-6(10)9-3-1-2-5(9)7(11)12/h5H,1-4H2,(H,11,12)
InChIKey
LXDUOIDIFSKLNB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.71
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
43.09
TPSA
57.61

LogP / Solubility

WLOGP
0.3
MLOGP
0.26
XLogP3
0.7
Consensus LogP
0.42
Log S (ESOL)
-1.09
Class (ESOL)
Soluble
Log S (Ali)
-1.35
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.4
Class (SILICOS-IT)
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)
-3.68

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

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