CAS RN: 347146-32-1
N-(1-Chloroisoquinolin-6-yl)-4-methylbenzenesulfonamide
- Product code: SSC-141319
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
347146-32-1 / N-(1-chloroisoquinolin-6-yl)-4-methylbenzenesulfonamide
Basic Information
CAS
347146-32-1
Multi CAS
No
Molecular Formula
C16H13CLN2O2S
Molecular Weight
332.800000
Exact Mass
332.038627
InChI
InChI=1S/C16H13ClN2O2S/c1-11-2-5-14(6-3-11)22(20,21)19-13-4-7-15-12(10-13)8-9-18-16(15)17/h2-10,19H,1H3
InChIKey
INLVEWAPRIFTRL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
16
Fraction Csp3
0.06
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
88.74
TPSA
59.06
LogP / Solubility
WLOGP
4
MLOGP
3.53
XLogP3
4
Consensus LogP
3.84
Log S (ESOL)
-4.76
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.18
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.5
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.91
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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