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: 5g
- 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 |
|---|---|---|---|---|
| 5g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
82409-00-5 / tert-butyl N-[8-[(2-methylpropan-2-yl)oxycarbonylamino]octyl]carbamate
Basic Information
CAS
82409-00-5
Multi CAS
No
Molecular Formula
C18H36N2O4
Molecular Weight
344.500000
Exact Mass
344.267508
InChI
InChI=1S/C18H36N2O4/c1-17(2,3)23-15(21)19-13-11-9-7-8-10-12-14-20-16(22)24-18(4,5)6/h7-14H2,1-6H3,(H,19,21)(H,20,22)
InChIKey
YLKUQZHLQVRJEV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Fraction Csp3
0.89
Rotatable bonds
9
H-bond acceptors
4
H-bond donors
2
Molar refractivity
96.18
TPSA
76.66
LogP / Solubility
WLOGP
4.38
MLOGP
3.87
XLogP3
4.1
Consensus LogP
4.12
Log S (ESOL)
-4.14
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.54
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.61
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.71
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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- CAS RN: 82413-20-5
- Product Code: starshine_CAS82413-20-5
- Purity/Analytical method: >99.0%
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