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CAS 1190044-23-5 N-BOC-N’-Mesyl ethylenediaMine molecular structure lightbox
CAS RN: 1190044-23-5

N-BOC-N’-Mesyl ethylenediaMine

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Batchno.20250706 250mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS1190044-23-5
  • Purity/Analytical Methods: >99.0%
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1190044-23-5 / tert-butyl N-[2-(methanesulfonamido)ethyl]carbamate

N-BOC-N'-Mesyl ethylenediamine | tert-butyl N-[2-(methanesulfonamido)ethyl]carbamate | Carbamic acid, N-[2-[(methylsulfonyl)amino]ethyl]-, 1,1-dimethylethyl ester

Standard CAS: 1190044-23-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1190044-23-5
Multi CAS
No
Molecular Formula
C8H18N2O4S
Molecular Weight
238.310000
Exact Mass
238.098728
SMILES
CC(C)(C)OC(=O)NCCNS(=O)(=O)C
InChI
InChI=1S/C8H18N2O4S/c1-8(2,3)14-7(11)9-5-6-10-15(4,12)13/h10H,5-6H2,1-4H3,(H,9,11)
InChIKey
HHRDGAKDKNAPGR-UHFFFAOYSA-N
Synonyms
N-BOC-N'-Mesyl ethylenediamine tert-butyl N-[2-(methanesulfonamido)ethyl]carbamate Carbamic acid, N-[2-[(methylsulfonyl)amino]ethyl]-, 1,1-dimethylethyl ester MFCD21104313 tert-butyl N-(2-methanesulfonamidoethyl)carbamate

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.88
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
2
Molar refractivity
57.08
TPSA
84.5

LogP / Solubility

WLOGP
0.06
MLOGP
0.06
Consensus LogP
0.04
Log S (ESOL)
-1.09
Class (ESOL)
Soluble
Log S (Ali)
-1.56
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.74
Class (SILICOS-IT)
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)
-4.13

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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