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CAS 21612-37-3 H-BETA-ALA-TRP-OH 2H2O molecular structure lightbox
CAS RN: 21612-37-3

H-BETA-ALA-TRP-OH 2H2O

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250314 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-103568
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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: >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 21612-37-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 0 Out of Stock Shenzhen Inquiry

21612-37-3 / (2S)-2-(3-aminopropanoylamino)-3-(1H-indol-3-yl)propanoic acid

Standard CAS: 21612-37-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
21612-37-3
Multi CAS
No
Molecular Formula
C14H17N3O3
Molecular Weight
275.300000
Exact Mass
275.126991
SMILES
C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)O)NC(=O)CCN
InChI
InChI=1S/C14H17N3O3/c15-6-5-13(18)17-12(14(19)20)7-9-8-16-11-4-2-1-3-10(9)11/h1-4,8,12,16H,5-7,15H2,(H,17,18)(H,19,20)/t12-/m0/s1
InChIKey
DZBHIIZGJUBURO-LBPRGKRZSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
9
Fraction Csp3
0.29
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
4
Molar refractivity
75.24
TPSA
108.21

LogP / Solubility

WLOGP
0.63
MLOGP
0.56
XLogP3
-2.7
Consensus LogP
-0.5
Log S (ESOL)
-1.88
Class (ESOL)
Soluble
Log S (Ali)
-2.27
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.69
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)
-3.95

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2

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