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CAS 1508260-88-5 (Sp)-HydroxyMethylphenylphosphinic acid [(-)-(1R,2S,2R)-2-i-propyl-5-Methylcyclohexanol]ester molecular structure lightbox
CAS RN: 1508260-88-5

(Sp)-HydroxyMethylphenylphosphinic acid [(-)-(1R,2S,2R)-2-i-propyl-5-Methylcyclohexanol]ester

  • Product code: SSC-060730
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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: 0.25g
  • 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 1508260-88-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry

1508260-88-5 / [(5-methyl-2-propan-2-ylcyclohexyl)oxy-phenylphosphoryl]methanol

Standard CAS: 1508260-88-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1508260-88-5
Multi CAS
No
Molecular Formula
C17H27O3P
Molecular Weight
310.400000
Exact Mass
310.169782
SMILES
CC1CCC(C(C1)OP(=O)(CO)C2=CC=CC=C2)C(C)C
InChI
InChI=1S/C17H27O3P/c1-13(2)16-10-9-14(3)11-17(16)20-21(19,12-18)15-7-5-4-6-8-15/h4-8,13-14,16-18H,9-12H2,1-3H3/t14-,16?,17-,21-/m1/s1
InChIKey
JCNMOFIXWKIJHM-LQMRFDPKSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.65
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
1
Molar refractivity
86.98
TPSA
46.53

LogP / Solubility

WLOGP
4.02
MLOGP
3.55
XLogP3
3.9
Consensus LogP
3.82
Log S (ESOL)
-4.18
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.01
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.61
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.76

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5

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