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CAS 122745-11-3 (R)-2-Amino-3-(2-naphthalenyl)propanoic acid hydrochloride molecular structure lightbox
CAS RN: 122745-11-3

(R)-2-Amino-3-(2-naphthalenyl)propanoic acid hydrochloride

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250717 1g / 5g / 25g Out of stock 8-10 business days Inquiry
  • Product code: SSC-025925
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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: 5g
  • 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 122745-11-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Shenzhen Inquiry

122745-11-3 / (2R)-2-amino-3-naphthalen-2-ylpropanoic acid;hydrochloride

Standard CAS: 122745-11-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
122745-11-3
Multi CAS
No
Molecular Formula
C13H14ClNO2
Molecular Weight
251.710000
Exact Mass
251.071306
SMILES
C1=CC=C2C=C(C=CC2=C1)C[C@H](C(=O)O)N.Cl
InChI
InChI=1S/C13H13NO2.ClH/c14-12(13(15)16)8-9-5-6-10-3-1-2-4-11(10)7-9;/h1-7,12H,8,14H2,(H,15,16);1H/t12-;/m1./s1
InChIKey
QXEYSNIVQNSZGX-UTONKHPSSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
10
Fraction Csp3
0.15
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
70.51
TPSA
63.32

LogP / Solubility

WLOGP
2.22
MLOGP
1.96
XLogP3
2.22
Consensus LogP
2.13
Log S (ESOL)
-3.03
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.22
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.5
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.68

Drug-likeness / Medicinal Chemistry

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

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