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CAS 1160247-98-2 Spiro[cyclohexane-1,3′-indoline]-5′-carboxylicacid molecular structure lightbox
CAS RN: 1160247-98-2

Spiro[cyclohexane-1,3′-indoline]-5′-carboxylicacid

  • Product code: SSC-016092
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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 1160247-98-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1160247-98-2 / spiro[1,2-dihydroindole-3,1'-cyclohexane]-5-carboxylic acid

Spiro[cyclohexane-1,3'-indoline]-5'-carboxylic acid | MFCD12198653 | 1',2'-Dihydrospiro[cyclohexane-1,3'-indole]-5'-carboxylic acid

Standard CAS: 1160247-98-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1160247-98-2
Multi CAS
Yes
Molecular Formula
C14H17NO2
Molecular Weight
231.290000
Exact Mass
231.125929
SMILES
C1CCC2(CC1)CNC3=C2C=C(C=C3)C(=O)O
InChI
InChI=1S/C14H17NO2/c16-13(17)10-4-5-12-11(8-10)14(9-15-12)6-2-1-3-7-14/h4-5,8,15H,1-3,6-7,9H2,(H,16,17)
InChIKey
AZZTXXRITVXQLB-UHFFFAOYSA-N
Synonyms
Spiro[cyclohexane-1,3'-indoline]-5'-carboxylic acid MFCD12198653 1',2'-Dihydrospiro[cyclohexane-1,3'-indole]-5'-carboxylic acid spiro[1,2-dihydroindole-3,1'-cyclohexane]-5-carboxylic acid Spiro[cyclohexane-1,3'-[3H]indole]-5'-carboxylic acid, 1',2'-dihydro-

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
66.65
TPSA
49.33

LogP / Solubility

WLOGP
3.01
MLOGP
2.65
XLogP3
3.4
Consensus LogP
3.02
Log S (ESOL)
-3.37
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.63
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.78
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)
-1.99

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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