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CAS 732251-89-7 CIS-3-BENZOYLCYCLOPENTANE-1-CARBOXYLIC ACID molecular structure lightbox
CAS RN: 732251-89-7

CIS-3-BENZOYLCYCLOPENTANE-1-CARBOXYLIC ACID

  • Product code: SSC-182696
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g, 5g
  • Available purity: >95%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 732251-89-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 1 In Stock Hong Kong Inquiry
0.25g >95% 1 In Stock Hong Kong Inquiry
1g >95% 1 In Stock Hong Kong Inquiry
5g >95% 0 Out of Stock Beijing Inquiry

732251-89-7 / cis-(1R,3S)-3-benzoylcyclopentane-1-carboxylic acid

Standard CAS: 732251-89-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
732251-89-7
Multi CAS
Yes
Molecular Formula
C13H14O3
Molecular Weight
218.250000
Exact Mass
218.094294
InChI
InChI=1S/C13H14O3/c14-12(9-4-2-1-3-5-9)10-6-7-11(8-10)13(15)16/h1-5,10-11H,6-8H2,(H,15,16)/t10-,11+/m0/s1
InChIKey
BXPBLRRKIQAMIP-WDEREUQCSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
59.24
TPSA
54.37

LogP / Solubility

WLOGP
2.37
MLOGP
2.09
XLogP3
2
Consensus LogP
2.15
Log S (ESOL)
-2.77
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.06
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.41
Class (SILICOS-IT)
Poorly 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)
-2.37

Drug-likeness / Medicinal Chemistry

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

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