CAS RN: 78957-84-3
N-(4-AMINOBUTYL)-5-CHLORO-1-NAPHTHALENESULFONAMIDE HCL
Product Availability
Choose a grade to view its available package options.
3 package records0 with current stock2 grade groups
- Product code: starshine_CAS78957-84-3
- Purity/Analytical Methods: >99.0%
78957-84-3 / N-(4-aminobutyl)-5-chloronaphthalene-1-sulfonamide;hydrochloride
Basic Information
CAS
78957-84-3
Multi CAS
No
Molecular Formula
C14H18CL2N2O2S
Molecular Weight
349.300000
Exact Mass
348.046604
InChI
InChI=1S/C14H17ClN2O2S.ClH/c15-13-7-3-6-12-11(13)5-4-8-14(12)20(18,19)17-10-2-1-9-16;/h3-8,17H,1-2,9-10,16H2;1H
InChIKey
IKMXJMNRHREPOD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
10
Fraction Csp3
0.29
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
2
Molar refractivity
89.68
TPSA
72.19
LogP / Solubility
WLOGP
2.93
MLOGP
2.6
XLogP3
2.93
Consensus LogP
2.82
Log S (ESOL)
-3.81
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.54
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.08
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.77
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5
Customers Also Viewed
-
A-3 HYDROCHLORIDE
- CAS RN: 78957-85-4
- Product Code: starshine_CAS78957-85-4
- Purity/Analytical method: >99.0%
-
Fosfomycin tromethamine
- CAS RN: 78964-85-9
- Product Code: starshine_CAS78964-85-9
- Purity/Analytical method: >99.0%
-
Mofezolac
- CAS RN: 78967-07-4
- Product Code: starshine_CAS78967-07-4
- Purity/Analytical method: >99.0%
-
-
2-(4-CHLORO-PHENYL)-OXAZOLE-4-CARBOXYLIC ACID ETHYL ESTER
- CAS RN: 78979-62-1
- Product Code: SSC-188188
-
2-(4-NITRO-PHENYL)-THIAZOLE-4-CARBOXYLIC ACID ETHYL ESTER
- CAS RN: 78979-64-3
- Product Code: SSC-188189
