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CAS 161879-12-5 H-PHG-OTBU HCL molecular structure lightbox
CAS RN: 161879-12-5

H-PHG-OTBU HCL

Product Availability

Choose a grade to view its available package options.

6 package records6 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250820 10g In stock Inquiry
Batchno.20251207 1g In stock Inquiry
Batchno.20260325 250mg In stock Inquiry
Batchno.20260621 25g In stock Inquiry
Batchno.20250307 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260209 5g / 25g / 100g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: SSC-069409
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 5g, 10g, 25g
  • Available purity: ≥95%
  • Inventory rows with stock: 2
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 161879-12-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 5 In Stock Shanghai Inquiry
5g ≥95% 4 In Stock Beijing Inquiry
10g ≥95% 0 Out of Stock Hong Kong Inquiry
25g ≥95% 0 Out of Stock Hong Kong Inquiry

161879-12-5 / tert-butyl (2S)-2-amino-2-phenylacetate;hydrochloride

Standard CAS: 161879-12-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
161879-12-5
Multi CAS
No
Molecular Formula
C12H18ClNO2
Molecular Weight
243.730000
Exact Mass
243.102607
SMILES
CC(C)(C)OC(=O)[C@H](C1=CC=CC=C1)N.Cl
InChI
InChI=1S/C12H17NO2.ClH/c1-12(2,3)15-11(14)10(13)9-7-5-4-6-8-9;/h4-8,10H,13H2,1-3H3;1H/t10-;/m0./s1
InChIKey
CBYKTKOQAVJTOU-PPHPATTJSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
66.46
TPSA
52.32

LogP / Solubility

WLOGP
2.45
MLOGP
2.16
XLogP3
2.45
Consensus LogP
2.35
Log S (ESOL)
-3.04
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.33
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.52
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.47

Drug-likeness / Medicinal Chemistry

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

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