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CAS 90940-54-8 D-HOMOPHENYLALANINE ETHYL ESTER HYDROC& molecular structure lightbox
CAS RN: 90940-54-8

D-HOMOPHENYLALANINE ETHYL ESTER HYDROC&

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250318 10g / 25g / 100g Out of stock 8-10 business days Inquiry
  • Product code: SSC-203684
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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, 10g, 25g
  • Available purity: ≥97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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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 90940-54-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Hong Kong Inquiry
5g ≥97% 0 Out of Stock Shenzhen Inquiry
10g ≥97% 0 Out of Stock Shenzhen Inquiry
25g ≥97% 0 Out of Stock Shenzhen Inquiry

90940-54-8 / [(2R)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]azanium chloride

Standard CAS: 90940-54-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
90940-54-8
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-;/m1./s1
InChIKey
PTFKZMFFSIYCOV-RFVHGSKJSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
5
H-bond acceptors
2
H-bond donors
1
Molar refractivity
58.07
TPSA
53.94

LogP / Solubility

WLOGP
-2.2
MLOGP
-1.93
XLogP3
-2.2
Consensus LogP
-2.11
Log S (ESOL)
0.09
Class (ESOL)
Highly soluble
Log S (Ali)
0.03
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
-0.02
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.77

Drug-likeness / Medicinal Chemistry

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

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