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CAS 103680-47-3 3-aminopropylphosphinic acid molecular structure lightbox
CAS RN: 103680-47-3

3-aminopropylphosphinic acid

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Batchno.20250802 1ml Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS103680-47-3
  • Purity/Analytical Methods: >99.0%
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103680-47-3 / 3-aminopropylphosphinic acid

RefChem:911163 | DTXCID301767044 | (3-aminopropyl)phosphinic acid

Standard CAS: 103680-47-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
103680-47-3
Multi CAS
Yes
Molecular Formula
C3H10NO2P
Molecular Weight
123.090000
Exact Mass
123.044916
SMILES
C(CN)CP(=O)O
InChI
InChI=1S/C3H8NO2P/c4-2-1-3-7(5)6/h1-4H2/p+1
InChIKey
MQIWYGZSHIXQIU-UHFFFAOYSA-O
Synonyms
RefChem:911163 DTXCID301767044 (3-aminopropyl)phosphinic acid 3-Aminopropanephosphinic acid 3-Aminopropylphosphinic acid

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
29.76
TPSA
63.32

LogP / Solubility

WLOGP
-0.2
MLOGP
-0.18
XLogP3
-4
Consensus LogP
-1.46
Log S (ESOL)
-0.28
Class (ESOL)
Very soluble
Log S (Ali)
-0.43
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.66
Class (SILICOS-IT)
Very 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)
-3.61

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

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