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: ≥97%
- 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 | ≥97% | 0 Out of Stock | Hong Kong | Inquiry |
6291-07-2 / 5-chloronaphthalene-1-sulfonyl chloride
Basic Information
CAS
6291-07-2
Multi CAS
Yes
Molecular Formula
C10H6CL2O2S
Molecular Weight
261.120000
Exact Mass
259.946556
InChI
InChI=1S/C10H6Cl2O2S/c11-9-5-1-4-8-7(9)3-2-6-10(8)15(12,13)14/h1-6H
InChIKey
ZELWQFZGPMGHRI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
10
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
62
TPSA
34.14
LogP / Solubility
WLOGP
3.42
MLOGP
3.02
XLogP3
4.1
Consensus LogP
3.51
Log S (ESOL)
-4.04
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.17
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.32
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.88
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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N,N-DIBUTYLLACTAMIDE
- CAS RN: 6288-16-0
- Product Code: starshine_CAS6288-16-0
- Purity/Analytical method: >99.0%
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