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CAS 90891-21-7 L-Homophenylalanine Ethyl Ester Hydrochloride molecular structure lightbox
CAS RN: 90891-21-7

L-Homophenylalanine Ethyl Ester Hydrochloride

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250529 25g / 100g / 500g Out of stock 8-10 business days Inquiry
  • Product code: SSC-203590
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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: 5g, 10g, 25g, 100g
  • Available purity: >97%
  • Inventory rows with stock: 1
  • 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 90891-21-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g >97% 4 In Stock Hong Kong Inquiry
10g >97% 0 Out of Stock Beijing Inquiry
25g >97% 0 Out of Stock Shenzhen Inquiry
100g >97% 0 Out of Stock Hong Kong Inquiry

90891-21-7 / ethyl (2S)-2-amino-4-phenylbutanoate;hydrochloride

Standard CAS: 90891-21-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
90891-21-7
Multi CAS
Yes
Molecular Formula
C12H18CLNO2
Molecular Weight
243.730000
Exact Mass
243.102607
InChI
InChI=1S/C12H17NO2.ClH/c1-2-15-12(14)11(13)9-8-10-6-4-3-5-7-10;/h3-7,11H,2,8-9,13H2,1H3;1H/t11-;/m0./s1
InChIKey
PTFKZMFFSIYCOV-MERQFXBCSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
1
Molar refractivity
66.62
TPSA
52.32

LogP / Solubility

WLOGP
1.93
MLOGP
1.7
XLogP3
1.93
Consensus LogP
1.85
Log S (ESOL)
-2.52
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.95
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.45
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)
-2.84

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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