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CAS 308815-83-0 2-[4-(tert-Butyldimethylsilyloxymethyl)-2-nitrophenoxy]acetic Acid molecular structure lightbox
CAS RN: 308815-83-0

2-[4-(tert-Butyldimethylsilyloxymethyl)-2-nitrophenoxy]acetic Acid

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260429 100mg Out of stock 8-10 business days Inquiry
  • Product code: ICTB2322
  • Purity/Analytical Methods: >98.0%(T)(HPLC)
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308815-83-0 / 2-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-nitrophenoxy]acetic acid

Standard CAS: 308815-83-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
308815-83-0
Multi CAS
Yes
Molecular Formula
C15H23NO6Si
Molecular Weight
341.430000
Exact Mass
341.129464
InChI
InChI=1S/C15H23NO6Si/c1-15(2,3)23(4,5)22-9-11-6-7-13(21-10-14(17)18)12(8-11)16(19)20/h6-8H,9-10H2,1-5H3,(H,17,18)
InChIKey
UXUZQGZIXUXYHB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
6
Fraction Csp3
0.53
Rotatable bonds
7
H-bond acceptors
5
H-bond donors
1
Molar refractivity
88.21
TPSA
98.9

LogP / Solubility

WLOGP
3.58
MLOGP
3.17
XLogP3
3.58
Consensus LogP
3.44
Log S (ESOL)
-3.94
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.94
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.69
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)
-2.26

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
2.5

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