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CAS 80877-15-2 DL-3-Cyanophenylalanine molecular structure lightbox
CAS RN: 80877-15-2

DL-3-Cyanophenylalanine

Product Availability

Choose a grade to view its available package options.

5 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250518 10g Out of stock Inquiry
Batchno.20251221 1g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250308 250mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250502 250mg / 1g / 5g / 25g Out of stock 8-10 business days Inquiry
Batchno.20250322 5g In stock Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
  • Product code: SSC-189520
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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
  • 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 80877-15-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

80877-15-2 / 2-amino-3-(3-cyanophenyl)propanoic acid;hydrochloride

Standard CAS: 80877-15-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
80877-15-2
Multi CAS
No
Molecular Formula
C10H11CLN2O2
Molecular Weight
226.660000
Exact Mass
226.050905
InChI
InChI=1S/C10H10N2O2.ClH/c11-6-8-3-1-2-7(4-8)5-9(12)10(13)14;/h1-4,9H,5,12H2,(H,13,14);1H
InChIKey
BDRRPFSPUOEZJA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.2
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
57.72
TPSA
87.11

LogP / Solubility

WLOGP
0.93
MLOGP
0.83
XLogP3
0.93
Consensus LogP
0.9
Log S (ESOL)
-1.93
Class (ESOL)
Soluble
Log S (Ali)
-2.09
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.27
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
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)
-3.44

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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