[email protected]
CAS 138079-59-1 (R)-(3-hydroxy-2,3-diMethylbutyl)triphenylphosphoniuM iodide molecular structure lightbox
CAS RN: 138079-59-1

(R)-(3-hydroxy-2,3-diMethylbutyl)triphenylphosphoniuM iodide

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250318 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS138079-59-1
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

138079-59-1 / [(2R)-3-hydroxy-2,3-dimethylbutyl]-triphenylphosphanium iodide

Standard CAS: 138079-59-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
138079-59-1
Multi CAS
No
Molecular Formula
C24H28IOP
Molecular Weight
490.400000
Exact Mass
490.092250
SMILES
C[C@@H](C[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)C(C)(C)O.[I-]
InChI
InChI=1S/C24H28OP.HI/c1-20(24(2,3)25)19-26(21-13-7-4-8-14-21,22-15-9-5-10-16-22)23-17-11-6-12-18-23;/h4-18,20,25H,19H2,1-3H3;1H/q+1;/p-1/t20-;/m0./s1
InChIKey
XAWZZXBEMHOOCA-BDQAORGHSA-M

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
18
Fraction Csp3
0.25
Rotatable bonds
6
H-bond acceptors
1
H-bond donors
1
Molar refractivity
115.48
TPSA
20.23

LogP / Solubility

WLOGP
1.39
MLOGP
1.26
XLogP3
1.39
Consensus LogP
1.35
Log S (ESOL)
-3.85
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.59
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.72
Class (SILICOS-IT)
Slightly 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)
-4.72

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

Customers Also Viewed

Get In Touch

Contact Us