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CAS 6304-56-9 1-CYCLOHEXYL-5-OXO-PYRROLIDINE-3-CARBOXYLIC ACID molecular structure lightbox
CAS RN: 6304-56-9

1-CYCLOHEXYL-5-OXO-PYRROLIDINE-3-CARBOXYLIC ACID

  • Product code: SSC-172549
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 6304-56-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

6304-56-9 / 1-cyclohexyl-5-oxopyrrolidine-3-carboxylic acid

Standard CAS: 6304-56-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
6304-56-9
Multi CAS
Yes
Molecular Formula
C11H17NO3
Molecular Weight
211.260000
Exact Mass
211.120843
InChI
InChI=1S/C11H17NO3/c13-10-6-8(11(14)15)7-12(10)9-4-2-1-3-5-9/h8-9H,1-7H2,(H,14,15)
InChIKey
JXNDLFWQCQNSRP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.82
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
54.33
TPSA
57.61

LogP / Solubility

WLOGP
1.25
MLOGP
1.1
XLogP3
0.8
Consensus LogP
1.05
Log S (ESOL)
-1.81
Class (ESOL)
Soluble
Log S (Ali)
-2.2
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.31
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)
-3.12

Drug-likeness / Medicinal Chemistry

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

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