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CAS 141120-17-4 2-aminoindan-2-phosphonic acid molecular structure lightbox
CAS RN: 141120-17-4

2-aminoindan-2-phosphonic acid

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4 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260614 100mg In stock Shandong Inquiry
Batchno.20251031 1g Out of stock 5-7 business days Inquiry
Batchno.20250219 250mg In stock Shanghai, Shandong Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250803 100mg / 250mg / 1g Confirm by inquiry Shanghai 8-10 business days Inquiry
  • Product code: starshine_CAS141120-17-4
  • Purity/Analytical Methods: >99.0%
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141120-17-4 / (2-amino-1,3-dihydroinden-2-yl)phosphonic acid

Standard CAS: 141120-17-4 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
141120-17-4
Multi CAS
No
Molecular Formula
C9H12NO3P
Molecular Weight
213.170000
Exact Mass
213.055480
SMILES
C1C2=CC=CC=C2CC1(N)P(=O)(O)O
InChI
InChI=1S/C9H12NO3P/c10-9(14(11,12)13)5-7-3-1-2-4-8(7)6-9/h1-4H,5-6,10H2,(H2,11,12,13)
InChIKey
YJFRDRWPYDVEIH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
3
Molar refractivity
52.81
TPSA
83.55

LogP / Solubility

WLOGP
0.62
MLOGP
0.55
XLogP3
-2.8
Consensus LogP
-0.54
Log S (ESOL)
-1.8
Class (ESOL)
Soluble
Log S (Ali)
-1.75
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.68
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.58

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501

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