![CAS 763122-73-2 Carbamic acid, [(1S)-1-(hydroxymethyl)-3-butynyl]-, 1,1-dimethylethyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/763122-73-2.gif)
CAS RN: 763122-73-2
Carbamic acid, [(1S)-1-(hydroxymethyl)-3-butynyl]-, 1,1-dimethylethyl ester
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock1 grade group
- Product code: SSC-185761
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: ＞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 |
|---|---|---|---|---|
| 1g | ＞95% | 0 Out of Stock | Shenzhen | Inquiry |
763122-73-2 / tert-butyl N-(1-hydroxypent-4-yn-2-yl)carbamate
Basic Information
CAS
763122-73-2
Multi CAS
Yes
Molecular Formula
C10H17NO3
Molecular Weight
199.250000
Exact Mass
199.120843
InChI
InChI=1S/C10H17NO3/c1-5-6-8(7-12)11-9(13)14-10(2,3)4/h1,8,12H,6-7H2,2-4H3,(H,11,13)
InChIKey
AMHAWCRGUQTPAH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Fraction Csp3
0.7
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
53.69
TPSA
58.56
LogP / Solubility
WLOGP
0.9
MLOGP
0.79
XLogP3
0.9
Consensus LogP
0.86
Log S (ESOL)
-1.44
Class (ESOL)
Soluble
Log S (Ali)
-1.84
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.06
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.3
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2
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