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CAS 1190-09-6 (3-Bromopropyl)phosphonic Acid molecular structure lightbox
CAS RN: 1190-09-6

(3-Bromopropyl)phosphonic Acid

  • Product code: SSC-019256
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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 1190-09-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1190-09-6 / 3-bromopropylphosphonic acid

(3-Bromopropyl)phosphonic Acid | DTXSID30402578 | RefChem:207580

Standard CAS: 1190-09-6 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1190-09-6
Multi CAS
No
Molecular Formula
C3H8BrO3P
Molecular Weight
202.970000
Exact Mass
201.939440
SMILES
C(CP(=O)(O)O)CBr
InChI
InChI=1S/C3H8BrO3P/c4-2-1-3-8(5,6)7/h1-3H2,(H2,5,6,7)
InChIKey
CXOIECRVHUDBSA-UHFFFAOYSA-N
Synonyms
(3-Bromopropyl)phosphonic Acid DTXSID30402578 RefChem:207580 DTXCID10353433 678-016-8

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
2
Molar refractivity
35.32
TPSA
57.53

LogP / Solubility

WLOGP
0.95
MLOGP
0.84
XLogP3
-0.5
Consensus LogP
0.43
Log S (ESOL)
-1.5
Class (ESOL)
Soluble
Log S (Ali)
-1.91
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.13
Class (SILICOS-IT)
Moderately 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)
-3.28

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

Safety & Transport

Pictogram(s)
Corrosive
Signal
Danger
GHS Hazard Statements
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement Codes
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501

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