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CAS 2074-67-1 BIS(HYDROXYMETHYL)PHOSPHINIC ACID molecular structure lightbox
CAS RN: 2074-67-1

BIS(HYDROXYMETHYL)PHOSPHINIC ACID

  • Product code: SSC-097656
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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 2074-67-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

2074-67-1 / bis(hydroxymethyl)phosphinic acid

Standard CAS: 2074-67-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2074-67-1
Multi CAS
No
Molecular Formula
C2H7O4P
Molecular Weight
126.050000
Exact Mass
126.008196
SMILES
C(O)P(=O)(CO)O
InChI
InChI=1S/C2H7O4P/c3-1-7(5,6)2-4/h3-4H,1-2H2,(H,5,6)
InChIKey
INZLXIUOICFWDW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
3
Molar refractivity
24
TPSA
77.76

LogP / Solubility

WLOGP
-0.84
MLOGP
-0.75
XLogP3
-2.3
Consensus LogP
-1.3
Log S (ESOL)
0.04
Class (ESOL)
Highly soluble
Log S (Ali)
0.02
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
-0.02
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
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)
-4.09

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
1.5

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