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CAS 2439-99-8 Glycine-N,N-bis(methylenephosphonic Acid) molecular structure lightbox
CAS RN: 2439-99-8

Glycine-N,N-bis(methylenephosphonic Acid)

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260301 100g In stock Shanghai, Hebei Inquiry
Batchno.20250228 25g In stock Shanghai, Shandong, Chongqing Inquiry
Batchno.20250311 5g In stock Shanghai, Shandong, Hebei Inquiry
  • Product code: ICTG0229
  • Purity/Analytical Methods: >97.0%(T)
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2439-99-8 / 2-[bis(phosphonomethyl)amino]acetic acid

Standard CAS: 2439-99-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2439-99-8
Multi CAS
No
Molecular Formula
C4H11NO8P2
Molecular Weight
263.080000
Exact Mass
262.995990
SMILES
C(C(=O)O)N(CP(=O)(O)O)CP(=O)(O)O
InChI
InChI=1S/C4H11NO8P2/c6-4(7)1-5(2-14(8,9)10)3-15(11,12)13/h1-3H2,(H,6,7)(H2,8,9,10)(H2,11,12,13)
InChIKey
OXHDYFKENBXUEM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.75
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
5
Molar refractivity
48.16
TPSA
155.6

LogP / Solubility

WLOGP
-1.36
MLOGP
-1.19
XLogP3
-5.9
Consensus LogP
-2.82
Log S (ESOL)
-0.22
Class (ESOL)
Very soluble
Log S (Ali)
-0.74
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.96
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
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)
-5.29

Drug-likeness / Medicinal Chemistry

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

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