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CAS 10526-80-4 Phosphoenolpyruvic Acid Monocyclohexylammonium Salt molecular structure lightbox
CAS RN: 10526-80-4

Phosphoenolpyruvic Acid Monocyclohexylammonium Salt

  • Product code: SSC-006990
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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: 10g
  • Available purity: ≥97%
  • 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 10526-80-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ≥97% 0 Out of Stock Shenzhen Inquiry

10526-80-4 / cyclohexanamine;2-phosphonooxyprop-2-enoic acid

EINECS 234-084-7 | DTXSID3065110 | 2-Propenoic acid, 2-phosphonoxy-, monocyclohexylammonium salt

Standard CAS: 10526-80-4 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
10526-80-4
Multi CAS
Yes
Molecular Formula
C9H18NO6P
Molecular Weight
267.220000
Exact Mass
267.087174
SMILES
C=C(C(=O)O)OP(=O)(O)O.C1CCC(CC1)N
InChI
InChI=1S/C6H13N.C3H5O6P/c7-6-4-2-1-3-5-6;1-2(3(4)5)9-10(6,7)8/h6H,1-5,7H2;1H2,(H,4,5)(H2,6,7,8)
InChIKey
VHFCNZDHPABZJO-UHFFFAOYSA-N
Synonyms
EINECS 234-084-7 DTXSID3065110 2-Propenoic acid, 2-phosphonoxy-, monocyclohexylammonium salt RefChem:89232 DTXCID0032944

Computed Properties

Structural Parameters

Heavy atom count
17
Fraction Csp3
0.67
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
4
Molar refractivity
60.97
TPSA
130.08

LogP / Solubility

WLOGP
0.97
MLOGP
0.86
XLogP3
0.97
Consensus LogP
0.93
Log S (ESOL)
-1.91
Class (ESOL)
Soluble
Log S (Ali)
-2.45
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.56
Class (SILICOS-IT)
Moderately 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)
-3.66

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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