![CAS 467217-29-4 Carbamic acid, [11-[(methylsulfonyl)oxy]undecyl]-, 1,1-dimethylethyl ester (9CI) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/467217-29-4.gif)
CAS RN: 467217-29-4
Carbamic acid, [11-[(methylsulfonyl)oxy]undecyl]-, 1,1-dimethylethyl ester (9CI)
- Product code: SSC-153962
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 |
467217-29-4 / 11-[(2-methylpropan-2-yl)oxycarbonylamino]undecyl methanesulfonate
Basic Information
CAS
467217-29-4
Multi CAS
No
Molecular Formula
C17H35NO5S
Molecular Weight
365.500000
Exact Mass
365.223594
InChI
InChI=1S/C17H35NO5S/c1-17(2,3)23-16(19)18-14-12-10-8-6-5-7-9-11-13-15-22-24(4,20)21/h5-15H2,1-4H3,(H,18,19)
InChIKey
JRCPSYZKDICHQN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Fraction Csp3
0.94
Rotatable bonds
13
H-bond acceptors
5
H-bond donors
1
Molar refractivity
96.59
TPSA
81.7
LogP / Solubility
WLOGP
4
MLOGP
3.54
XLogP3
4.5
Consensus LogP
4.01
Log S (ESOL)
-3.77
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.44
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.91
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.11
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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