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CAS 131690-57-8 (R)-3-AMINO-3-(4-METHOXY-PHENYL)-PROPIONIC ACID molecular structure lightbox
CAS RN: 131690-57-8

(R)-3-AMINO-3-(4-METHOXY-PHENYL)-PROPIONIC ACID

Product Availability

Choose a grade to view its available package options.

5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250313 100mg In stock Shanghai Inquiry
Batchno.20250227 100mg / 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
Batchno.20250418 1g In stock Shanghai Inquiry
Batchno.20260621 250mg In stock Shanghai Inquiry
Batchno.20260323 5g In stock Shanghai Inquiry
  • Product code: SSC-038827
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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 131690-57-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

131690-57-8 / (3R)-3-amino-3-(4-methoxyphenyl)propanoic acid

Standard CAS: 131690-57-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
131690-57-8
Multi CAS
No
Molecular Formula
C10H13NO3
Molecular Weight
195.210000
Exact Mass
195.089543
SMILES
COC1=CC=C(C=C1)[C@@H](CC(=O)O)N
InChI
InChI=1S/C10H13NO3/c1-14-8-4-2-7(3-5-8)9(11)6-10(12)13/h2-5,9H,6,11H2,1H3,(H,12,13)/t9-/m1/s1
InChIKey
NYTANCDDCQVQHG-SECBINFHSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
52.18
TPSA
72.55

LogP / Solubility

WLOGP
1.17
MLOGP
1.03
XLogP3
-1.4
Consensus LogP
0.27
Log S (ESOL)
-1.84
Class (ESOL)
Soluble
Log S (Ali)
-2.01
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.38
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.08

Drug-likeness / Medicinal Chemistry

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

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