![CAS 415684-05-8 Carbamic acid, [(2S)-3-chloro-2-hydroxypropyl]-, 1,1-dimethylethyl ester (9CI) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/415684-05-8.gif)
CAS RN: 415684-05-8
Carbamic acid, [(2S)-3-chloro-2-hydroxypropyl]-, 1,1-dimethylethyl ester (9CI)
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250213 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-149969
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: 0.25g
- 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 |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
415684-05-8 / tert-butyl N-[(2S)-3-chloro-2-hydroxypropyl]carbamate
Basic Information
CAS
415684-05-8
Multi CAS
Yes
Molecular Formula
C8H16CLNO3
Molecular Weight
209.670000
Exact Mass
209.081871
InChI
InChI=1S/C8H16ClNO3/c1-8(2,3)13-7(12)10-5-6(11)4-9/h6,11H,4-5H2,1-3H3,(H,10,12)/t6-/m1/s1
InChIKey
BCERVHZUVNOSNR-ZCFIWIBFSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Fraction Csp3
0.88
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
50.96
TPSA
58.56
LogP / Solubility
WLOGP
1.11
MLOGP
0.98
XLogP3
0.9
Consensus LogP
1
Log S (ESOL)
-1.64
Class (ESOL)
Soluble
Log S (Ali)
-2.08
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.3
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)
-3.21
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2
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