CAS RN: 927869-56-5
2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepine-7-sulfonyl chloride
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251111 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS927869-56-5
- Purity/Analytical Methods: >99.0%
927869-56-5 / 2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonyl chloride
Basic Information
CAS
927869-56-5
Multi CAS
No
Molecular Formula
C10H10CLNO3S
Molecular Weight
259.710000
Exact Mass
259.006992
InChI
InChI=1S/C10H10ClNO3S/c11-16(14,15)8-4-5-9-7(6-8)2-1-3-10(13)12-9/h4-6H,1-3H2,(H,12,13)
InChIKey
QCHLNSXHASMIBN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
61.05
TPSA
63.24
LogP / Solubility
WLOGP
1.89
MLOGP
1.67
XLogP3
1.4
Consensus LogP
1.65
Log S (ESOL)
-2.85
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.05
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.04
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.96
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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