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CAS 310480-85-4 N-(2-BOC-AMINOETHYL)-4-BROMOBENZENESULFONAMIDE molecular structure lightbox
CAS RN: 310480-85-4

N-(2-BOC-AMINOETHYL)-4-BROMOBENZENESULFONAMIDE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250911 250mg / 1g / 5g / 25g Confirm by inquiry Shandong, Shanghai Inquiry
  • Product code: starshine_CAS310480-85-4
  • Purity/Analytical Methods: >99.0%
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310480-85-4 / tert-butyl N-[2-[(4-bromophenyl)sulfonylamino]ethyl]carbamate

Standard CAS: 310480-85-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
310480-85-4
Multi CAS
Yes
Molecular Formula
BC13H19O4Rn2S
Molecular Weight
379.270000
Exact Mass
378.024890
InChI
InChI=1S/C13H19BrN2O4S/c1-13(2,3)20-12(17)15-8-9-16-21(18,19)11-6-4-10(14)5-7-11/h4-7,16H,8-9H2,1-3H3,(H,15,17)
InChIKey
NBFPYRUCEUVPFK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.46
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
2
Molar refractivity
83.57
TPSA
84.5

LogP / Solubility

WLOGP
2.25
MLOGP
2
XLogP3
2.3
Consensus LogP
2.18
Log S (ESOL)
-3.49
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.3
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.59
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.43

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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