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CAS 112101-75-4 (R)-(+)-5-(2-AMINOPROPYL)-2-METHOXYBENZENE SULFONAMIDE HYDROCHLORIDE molecular structure lightbox
CAS RN: 112101-75-4

(R)-(+)-5-(2-AMINOPROPYL)-2-METHOXYBENZENE SULFONAMIDE HYDROCHLORIDE

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Batchno.20250814 5g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS112101-75-4
  • Purity/Analytical Methods: >99.0%
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112101-75-4 / 5-[(2R)-2-aminopropyl]-2-methoxybenzenesulfonamide;hydrochloride

RefChem:1078673 | Benzenesulfonamide, 5-((2R)-2-aminopropyl)-2-methoxy-, hydrochloride (1:1) | 5[(R)-(2-Aminopropyl)]-2-methoxybenzenesulfonamide Hydrochloride

Standard CAS: 112101-75-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
112101-75-4
Multi CAS
Yes
Molecular Formula
C10H17ClN2O3S
Molecular Weight
280.770000
Exact Mass
280.064841
SMILES
C[C@H](CC1=CC(=C(C=C1)OC)S(=O)(=O)N)N.Cl
InChI
InChI=1S/C10H16N2O3S.ClH/c1-7(11)5-8-3-4-9(15-2)10(6-8)16(12,13)14;/h3-4,6-7H,5,11H2,1-2H3,(H2,12,13,14);1H/t7-;/m1./s1
InChIKey
KYRRNJIOCLALJQ-OGFXRTJISA-N
Synonyms
RefChem:1078673 Benzenesulfonamide, 5-((2R)-2-aminopropyl)-2-methoxy-, hydrochloride (1:1) 5[(R)-(2-Aminopropyl)]-2-methoxybenzenesulfonamide Hydrochloride (R)-(+)-5-(2-AMINOPROPYL)-2-METHOXYBENZENE SULFONAMIDE HYDROCHLORIDE (R)-5-(2-aminopropyl)-2-methoxybenzenesulfonamide hydrochloride

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
2
Molar refractivity
68.97
TPSA
95.41

LogP / Solubility

WLOGP
0.65
MLOGP
0.59
XLogP3
0.65
Consensus LogP
0.63
Log S (ESOL)
-1.99
Class (ESOL)
Soluble
Log S (Ali)
-2.33
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.51
Class (SILICOS-IT)
Moderately 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)
-3.97

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2

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