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CAS 23745-26-8 4-[(CYCLOPROPYLCARBONYL)AMINO]BENZOIC ACID molecular structure lightbox
CAS RN: 23745-26-8

4-[(CYCLOPROPYLCARBONYL)AMINO]BENZOIC ACID

  • Product code: SSC-115358
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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: 1g, 5g
  • Available purity: ＞97%
  • 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 23745-26-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry
5g ＞97% 0 Out of Stock Hong Kong Inquiry

23745-26-8 / 4-(cyclopropanecarbonylamino)benzoic acid

Standard CAS: 23745-26-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
23745-26-8
Multi CAS
No
Molecular Formula
C11H11NO3
Molecular Weight
205.210000
Exact Mass
205.073893
SMILES
C1CC1C(=O)NC2=CC=C(C=C2)C(=O)O
InChI
InChI=1S/C11H11NO3/c13-10(7-1-2-7)12-9-5-3-8(4-6-9)11(14)15/h3-7H,1-2H2,(H,12,13)(H,14,15)
InChIKey
RXFRECYQSDDFRO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.27
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
54.76
TPSA
66.4

LogP / Solubility

WLOGP
1.73
MLOGP
1.53
XLogP3
1.8
Consensus LogP
1.69
Log S (ESOL)
-2.3
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.49
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.79
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)
-2.74

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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