CAS RN: 680618-20-6
5-(Formylamino)-1-naphthalenesulfonyl Chloride
Product Availability
Available package options are listed below.
1 package records0 with current stock
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250714 | 500mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS680618-20-6
- Purity/Analytical Methods: >99.0%
680618-20-6 / 5-formamidonaphthalene-1-sulfonyl chloride
Basic Information
CAS
680618-20-6
Multi CAS
No
Molecular Formula
C11H8CLNO3S
Molecular Weight
269.700000
Exact Mass
268.991342
InChI
InChI=1S/C11H8ClNO3S/c12-17(15,16)11-6-2-3-8-9(11)4-1-5-10(8)13-7-14/h1-7H,(H,13,14)
InChIKey
CINVSSZEEOERHL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
10
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
66.67
TPSA
63.24
LogP / Solubility
WLOGP
2.34
MLOGP
2.06
XLogP3
2.4
Consensus LogP
2.27
Log S (ESOL)
-3.22
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.46
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.71
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.71
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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