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CAS 1195941-38-8 2-[4-methoxy-3-(2-m-tolyl-ethoxy)-benzoylamino]-indane-2-carboxylic acid molecular structure lightbox
CAS RN: 1195941-38-8

2-[4-methoxy-3-(2-m-tolyl-ethoxy)-benzoylamino]-indane-2-carboxylic acid

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6 package records6 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251206 10mg In stock Shanghai Inquiry
Batchno.20250624 1mg In stock Shanghai Inquiry
Batchno.20250109 25mg In stock Shanghai Inquiry
Batchno.20250721 2mg In stock Shanghai Inquiry
Batchno.20250511 50mg In stock Shanghai, Shenzhen Inquiry
Batchno.20250516 5mg In stock Shanghai Inquiry
  • Product code: starshine_CAS1195941-38-8
  • Purity/Analytical Methods: >99.0%
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1195941-38-8 / 2-[[4-methoxy-3-[2-(3-methylphenyl)ethoxy]benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid

SAR-100842 | FIPAXALPARANT | SAR100842

Standard CAS: 1195941-38-8 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1195941-38-8
Multi CAS
No
Molecular Formula
C27H27NO5
Molecular Weight
445.500000
Exact Mass
445.188923
SMILES
CC1=CC(=CC=C1)CCOC2=C(C=CC(=C2)C(=O)NC3(CC4=CC=CC=C4C3)C(=O)O)OC
InChI
InChI=1S/C27H27NO5/c1-18-6-5-7-19(14-18)12-13-33-24-15-20(10-11-23(24)32-2)25(29)28-27(26(30)31)16-21-8-3-4-9-22(21)17-27/h3-11,14-15H,12-13,16-17H2,1-2H3,(H,28,29)(H,30,31)
InChIKey
SOJDTNUCCXWTMG-UHFFFAOYSA-N
Synonyms
SAR-100842 FIPAXALPARANT SAR100842 CZN001 Y76WZ464EY

Computed Properties

Structural Parameters

Heavy atom count
33
Aromatic heavy atom count
18
Fraction Csp3
0.26
Rotatable bonds
8
H-bond acceptors
4
H-bond donors
2
Molar refractivity
125.06
TPSA
84.86

LogP / Solubility

WLOGP
3.98
MLOGP
3.53
XLogP3
4.9
Consensus LogP
4.14
Log S (ESOL)
-4.98
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.08
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.82
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.61

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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