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: 10g
- 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 |
|---|---|---|---|---|
| 10g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
72594-62-8 / tert-butyl N-naphthalen-1-ylcarbamate
Basic Information
CAS
72594-62-8
Multi CAS
No
Molecular Formula
C15H17NO2
Molecular Weight
243.300000
Exact Mass
243.125929
InChI
InChI=1S/C15H17NO2/c1-15(2,3)18-14(17)16-13-10-6-8-11-7-4-5-9-12(11)13/h4-10H,1-3H3,(H,16,17)
InChIKey
SCDGPDBWNRGGIX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
10
Fraction Csp3
0.27
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
73.8
TPSA
38.33
LogP / Solubility
WLOGP
4.19
MLOGP
3.69
XLogP3
3
Consensus LogP
3.63
Log S (ESOL)
-4.33
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.58
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.84
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.23
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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(1R)-10-CAMPHORSULFONAMIDE
- CAS RN: 72597-34-3
- Product Code: starshine_CAS72597-34-3
- Purity/Analytical method: >99.0%
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