[email protected]
CAS 158807-47-7 (R)-N-BOC-3-AMINO-3-PHENYL-PROPAN-1-OL molecular structure lightbox
CAS RN: 158807-47-7

(R)-N-BOC-3-AMINO-3-PHENYL-PROPAN-1-OL

Product Availability

Choose a grade to view its available package options.

2 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250731 1g In stock Shandong Inquiry
Batchno.20250402 200mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-066992
GET A QUOTE
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
Request Bulk Quote

Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 158807-47-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Shenzhen Inquiry

158807-47-7 / tert-butyl N-[(1R)-3-hydroxy-1-phenylpropyl]carbamate

Standard CAS: 158807-47-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
158807-47-7
Multi CAS
No
Molecular Formula
C14H21NO3
Molecular Weight
251.320000
Exact Mass
251.152144
SMILES
CC(C)(C)OC(=O)N[C@H](CCO)C1=CC=CC=C1
InChI
InChI=1S/C14H21NO3/c1-14(2,3)18-13(17)15-12(9-10-16)11-7-5-4-6-8-11/h4-8,12,16H,9-10H2,1-3H3,(H,15,17)/t12-/m1/s1
InChIKey
SMEMODSNLZWKBF-GFCCVEGCSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
70.26
TPSA
58.56

LogP / Solubility

WLOGP
2.63
MLOGP
2.32
XLogP3
2.1
Consensus LogP
2.35
Log S (ESOL)
-3.04
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.52
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.96
Class (SILICOS-IT)
Poorly 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)
-2.38

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2

Customers Also Viewed

Get In Touch

Contact Us