![CAS 888298-05-3 [(1R)-3-Hydroxy-1-phenylpropyl]carbamic acid benzyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/888298-05-3.gif)
CAS RN: 888298-05-3
[(1R)-3-Hydroxy-1-phenylpropyl]carbamic acid benzyl ester
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250917 | 200mg / 1g / 5g | Confirm by inquiry | Shandong | 5-7 business days | Inquiry |
- Product code: SSC-200554
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, 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.
888298-05-3 / benzyl N-[(1S)-3-hydroxy-1-phenylpropyl]carbamate
Basic Information
CAS
888298-05-3
Multi CAS
Yes
Molecular Formula
C17H19NO3
Molecular Weight
285.340000
Exact Mass
285.136493
InChI
InChI=1S/C17H19NO3/c19-12-11-16(15-9-5-2-6-10-15)18-17(20)21-13-14-7-3-1-4-8-14/h1-10,16,19H,11-13H2,(H,18,20)/t16-/m0/s1
InChIKey
LHJCROXNTSGDSP-INIZCTEOSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.24
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
2
Molar refractivity
80.65
TPSA
58.56
LogP / Solubility
WLOGP
3.04
MLOGP
2.68
XLogP3
2.6
Consensus LogP
2.77
Log S (ESOL)
-3.55
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.09
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.76
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.3
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3
