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CAS 16633-44-6 (±)-trans-2-p-tolylcyclopropanecarboxylic acid molecular structure lightbox
CAS RN: 16633-44-6

(±)-trans-2-p-tolylcyclopropanecarboxylic acid

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250605 500mg / 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: SSC-072610
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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
  • 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 16633-44-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

16633-44-6 / trans-(1R,2R)-2-(4-methylphenyl)cyclopropane-1-carboxylic acid

Standard CAS: 16633-44-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
16633-44-6
Multi CAS
No
Molecular Formula
C11H12O2
Molecular Weight
176.210000
Exact Mass
176.083730
SMILES
CC1=CC=C(C=C1)[C@@H]2C[C@H]2C(=O)O
InChI
InChI=1S/C11H12O2/c1-7-2-4-8(5-3-7)9-6-10(9)11(12)13/h2-5,9-10H,6H2,1H3,(H,12,13)/t9-,10+/m0/s1
InChIKey
GAGYDDATWSBNEG-VHSXEESVSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
49.66
TPSA
37.3

LogP / Solubility

WLOGP
2.18
MLOGP
1.92
XLogP3
2
Consensus LogP
2.03
Log S (ESOL)
-2.52
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.58
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.86
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)
-2.24

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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