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CAS 17808-21-8 2-Amino-3-(6-chloro-1H-indol-3-yl)propanoic acid molecular structure lightbox
CAS RN: 17808-21-8

2-Amino-3-(6-chloro-1H-indol-3-yl)propanoic acid

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250213 100mg / 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: SSC-078189
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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: 0.1g, 0.25g, 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 17808-21-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥97% 0 Out of Stock Hong Kong Inquiry
0.25g ≥97% 0 Out of Stock Hong Kong Inquiry
1g ≥97% 0 Out of Stock Shanghai Inquiry

17808-21-8 / 2-amino-3-(6-chloro-1H-indol-3-yl)propanoic acid

Standard CAS: 17808-21-8 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
17808-21-8
Multi CAS
No
Molecular Formula
C11H11ClN2O2
Molecular Weight
238.670000
Exact Mass
238.050905
SMILES
C1=CC2=C(C=C1Cl)NC=C2CC(C(=O)O)N
InChI
InChI=1S/C11H11ClN2O2/c12-7-1-2-8-6(3-9(13)11(15)16)5-14-10(8)4-7/h1-2,4-5,9,14H,3,13H2,(H,15,16)
InChIKey
FICLVQOYKYBXFN-UHFFFAOYSA-N

Physical Properties

Melting Point
278 °C
Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
9
Fraction Csp3
0.18
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
3
Molar refractivity
62.62
TPSA
79.11

LogP / Solubility

WLOGP
1.78
MLOGP
1.57
XLogP3
-0.3
Consensus LogP
1.02
Log S (ESOL)
-2.66
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.8
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.05
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.92

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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