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CAS 134430-96-9 METHYL (3S)-3-AMINO-3-(4-HYDROXYPHENYL)PROPANOATE HYDROCHLORIDE molecular structure lightbox
CAS RN: 134430-96-9

METHYL (3S)-3-AMINO-3-(4-HYDROXYPHENYL)PROPANOATE HYDROCHLORIDE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250922 250mg In stock Shanghai Inquiry
  • Product code: SSC-042172
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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: 0.25g
  • 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 134430-96-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry

134430-96-9 / methyl (3S)-3-amino-3-(4-hydroxyphenyl)propanoate;hydrochloride

Standard CAS: 134430-96-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
134430-96-9
Multi CAS
No
Molecular Formula
C10H14ClNO3
Molecular Weight
231.670000
Exact Mass
231.066221
SMILES
COC(=O)C[C@@H](C1=CC=C(C=C1)O)N.Cl
InChI
InChI=1S/C10H13NO3.ClH/c1-14-10(13)6-9(11)7-2-4-8(12)5-3-7;/h2-5,9,12H,6,11H2,1H3;1H/t9-;/m0./s1
InChIKey
IGCVYGRJXLFPDF-FVGYRXGTSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
58.92
TPSA
72.55

LogP / Solubility

WLOGP
1.38
MLOGP
1.22
XLogP3
1.38
Consensus LogP
1.33
Log S (ESOL)
-2.24
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.45
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.67
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)
-3.16

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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