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CAS 344413-81-6 (R)-tert-butyl (2-fluoro-3-iodopropyl)carbamate(WXC05333) molecular structure lightbox
CAS RN: 344413-81-6

(R)-tert-butyl (2-fluoro-3-iodopropyl)carbamate(WXC05333)

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250101 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS344413-81-6
  • Purity/Analytical Methods: >99.0%
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344413-81-6 / tert-butyl N-[(2R)-2-fluoro-3-iodopropyl]carbamate

Standard CAS: 344413-81-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
344413-81-6
Multi CAS
No
Molecular Formula
C8FH15InO2
Molecular Weight
303.110000
Exact Mass
303.013150
InChI
InChI=1S/C8H15FINO2/c1-8(2,3)13-7(12)11-5-6(9)4-10/h6H,4-5H2,1-3H3,(H,11,12)/t6-/m0/s1
InChIKey
GVPFWSBKIVUQJO-LURJTMIESA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
0.88
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
58.02
TPSA
38.33

LogP / Solubility

WLOGP
2.28
MLOGP
2.02
XLogP3
2.4
Consensus LogP
2.23
Log S (ESOL)
-2.96
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.69
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.89
Class (SILICOS-IT)
Poorly 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)
-2.95

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
2

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