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CAS 508223-54-9 tert-Butyl 2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenylcarbamate molecular structure lightbox
CAS RN: 508223-54-9

tert-Butyl 2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenylcarbamate

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250330 100mg / 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS508223-54-9
  • Purity/Analytical Methods: >99.0%
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508223-54-9 / tert-butyl N-[2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate

Standard CAS: 508223-54-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
508223-54-9
Multi CAS
Yes
Molecular Formula
BC18H28NO4
Molecular Weight
333.200000
Exact Mass
333.211139
InChI
InChI=1S/C18H28BNO4/c1-12-11-13(19-23-17(5,6)18(7,8)24-19)9-10-14(12)20-15(21)22-16(2,3)4/h9-11H,1-8H3,(H,20,21)
InChIKey
AEJFCKJZWOLDBF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
6
Fraction Csp3
0.61
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
96.75
TPSA
56.79

LogP / Solubility

WLOGP
3.64
MLOGP
3.22
XLogP3
3.64
Consensus LogP
3.5
Log S (ESOL)
-4.25
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.92
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.09
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.17

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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