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CAS 1738-78-9 3-Phenyl-L-alanine benzyl ester 4-toluenesulphonate molecular structure lightbox
CAS RN: 1738-78-9

3-Phenyl-L-alanine benzyl ester 4-toluenesulphonate

Product Availability

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2 package records1 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260609 5g / 25g / 100g / 500g Confirm by inquiry Shanghai, Shandong 8-10 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250917 25g / 100g Out of stock 8-10 business days Inquiry
  • Product code: SSC-076296
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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: 25g
  • Available purity: ≥95%
  • 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 1738-78-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥95% 0 Out of Stock Shenzhen Inquiry

1738-78-9 / benzyl (2S)-2-amino-3-phenylpropanoate;4-methylbenzenesulfonic acid

Standard CAS: 1738-78-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1738-78-9
Multi CAS
No
Molecular Formula
C23H25NO5S
Molecular Weight
427.500000
Exact Mass
427.145344
SMILES
CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C(C=C1)C[C@@H](C(=O)OCC2=CC=CC=C2)N
InChI
InChI=1S/C16H17NO2.C7H8O3S/c17-15(11-13-7-3-1-4-8-13)16(18)19-12-14-9-5-2-6-10-14;1-6-2-4-7(5-3-6)11(8,9)10/h1-10,15H,11-12,17H2;2-5H,1H3,(H,8,9,10)/t15-;/m0./s1
InChIKey
ZLZGBBIPWXUQST-RSAXXLAASA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
18
Fraction Csp3
0.17
Rotatable bonds
6
H-bond acceptors
5
H-bond donors
2
Molar refractivity
115.35
TPSA
106.69

LogP / Solubility

WLOGP
3.54
MLOGP
3.14
XLogP3
3.54
Consensus LogP
3.41
Log S (ESOL)
-4.77
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.62
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.1
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.81

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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