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CAS 175221-03-1 (1S,2S)-2-(((1R,2S,5R)-2-isopropyl-5-Methylcyclohexyloxy)carbonyl)cyclopropanecarboxylic acid molecular structure lightbox
CAS RN: 175221-03-1

(1S,2S)-2-(((1R,2S,5R)-2-isopropyl-5-Methylcyclohexyloxy)carbonyl)cyclopropanecarboxylic acid

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260425 25mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS175221-03-1
  • Purity/Analytical Methods: >99.0%
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175221-03-1 / trans-(1S,2S)-2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxycarbonylcyclopropane-1-carboxylic acid

Standard CAS: 175221-03-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
175221-03-1
Multi CAS
No
Molecular Formula
C15H24O4
Molecular Weight
268.350000
Exact Mass
268.167459
SMILES
C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)[C@H]2C[C@@H]2C(=O)O)C(C)C
InChI
InChI=1S/C15H24O4/c1-8(2)10-5-4-9(3)6-13(10)19-15(18)12-7-11(12)14(16)17/h8-13H,4-7H2,1-3H3,(H,16,17)/t9-,10+,11+,12+,13-/m1/s1
InChIKey
ZJAOAVRRNBJCLX-QNWJLWSRSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Fraction Csp3
0.87
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
70.46
TPSA
63.6

LogP / Solubility

WLOGP
2.71
MLOGP
2.39
XLogP3
3.2
Consensus LogP
2.77
Log S (ESOL)
-2.95
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.72
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.13
Class (SILICOS-IT)
Slightly 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)
-2.43

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
4

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