CAS RN: 380607-77-2
N,N’-(2,2′-(1,4-phenylene)bis(ethane-2,1-diyl))dipropane-2-sulfonaMide
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260119 | 5mg / 10mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS380607-77-2
- Purity/Analytical Methods: >99.0%
380607-77-2 / N-[2-[4-[2-(propan-2-ylsulfonylamino)ethyl]phenyl]ethyl]propane-2-sulfonamide
Basic Information
CAS
380607-77-2
Multi CAS
No
Molecular Formula
C16H28N2O4S2
Molecular Weight
376.500000
Exact Mass
376.149050
InChI
InChI=1S/C16H28N2O4S2/c1-13(2)23(19,20)17-11-9-15-5-7-16(8-6-15)10-12-18-24(21,22)14(3)4/h5-8,13-14,17-18H,9-12H2,1-4H3
InChIKey
FHLGMMYEKXPVSC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
6
Fraction Csp3
0.62
Rotatable bonds
10
H-bond acceptors
4
H-bond donors
2
Molar refractivity
97.97
TPSA
92.34
LogP / Solubility
WLOGP
1.43
MLOGP
1.28
XLogP3
2.2
Consensus LogP
1.64
Log S (ESOL)
-2.6
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.68
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.49
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)
-4
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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