[email protected]
CAS 113794-48-2 3-(tert-ButyldiMethylsilyloxy)glutaric Acid molecular structure lightbox
CAS RN: 113794-48-2

3-(tert-ButyldiMethylsilyloxy)glutaric Acid

  • Product code: SSC-013784
GET A QUOTE
Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g, 5g
  • Available purity: >95%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 113794-48-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 2 In Stock Beijing Inquiry
0.25g >95% 2 In Stock Hong Kong Inquiry
1g >95% 2 In Stock Shenzhen Inquiry
5g >95% 2 In Stock Shanghai Inquiry

113794-48-2 / 3-[tert-butyl(dimethyl)silyl]oxypentanedioic acid

3-(tert-Butyldimethylsilyloxy)glutaric Acid | 3-[tert-butyl(dimethyl)silyl]oxypentanedioic acid | MFCD21641339

Standard CAS: 113794-48-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
113794-48-2
Multi CAS
Yes
Molecular Formula
C11H22O5Si
Molecular Weight
262.370000
Exact Mass
262.123650
SMILES
CC(C)(C)[Si](C)(C)OC(CC(=O)O)CC(=O)O
InChI
InChI=1S/C11H22O5Si/c1-11(2,3)17(4,5)16-8(6-9(12)13)7-10(14)15/h8H,6-7H2,1-5H3,(H,12,13)(H,14,15)
InChIKey
OHPIOMMEWYTXCL-UHFFFAOYSA-N
Synonyms
3-(tert-Butyldimethylsilyloxy)glutaric Acid 3-[tert-butyl(dimethyl)silyl]oxypentanedioic acid MFCD21641339 SCHEMBL2636857 AC2988

Computed Properties

Structural Parameters

Heavy atom count
17
Fraction Csp3
0.82
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
2
Molar refractivity
66.58
TPSA
83.83

LogP / Solubility

WLOGP
2.33
MLOGP
2.05
XLogP3
2.33
Consensus LogP
2.24
Log S (ESOL)
-2.54
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.39
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.02
Class (SILICOS-IT)
Slightly 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)
-2.67

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

Customers Also Viewed

Get In Touch

Contact Us