CAS RN: 139428-96-9
BOC-CYS(BZL)-OL
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.20250608 | 1g / 5g / 25g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-050067
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: ＞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 |
|---|---|---|---|---|
| 5g | ＞97% | 0 Out of Stock | Shenzhen | Inquiry |
139428-96-9 / tert-butyl N-[(2R)-1-benzylsulfanyl-3-hydroxypropan-2-yl]carbamate
Basic Information
CAS
139428-96-9
Multi CAS
No
Molecular Formula
C15H23NO3S
Molecular Weight
297.400000
Exact Mass
297.139865
SMILES
CC(C)(C)OC(=O)N[C@H](CO)CSCC1=CC=CC=C1
InChI
InChI=1S/C15H23NO3S/c1-15(2,3)19-14(18)16-13(9-17)11-20-10-12-7-5-4-6-8-12/h4-8,13,17H,9-11H2,1-3H3,(H,16,18)/t13-/m1/s1
InChIKey
MEZQRZMTIJTPIY-CYBMUJFWSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.53
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
2
Molar refractivity
82.85
TPSA
58.56
LogP / Solubility
WLOGP
2.81
MLOGP
2.48
XLogP3
2.5
Consensus LogP
2.6
Log S (ESOL)
-3.28
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.02
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.64
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.54
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
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