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CAS 3728-20-9 H-D-TYR-OME HCL molecular structure lightbox
CAS RN: 3728-20-9

H-D-TYR-OME HCL

Product Availability

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4 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250825 100g In stock Inquiry
Batchno.20260622 25g In stock Inquiry
Batchno.20250117 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251007 1g / 5g / 25g / 100g / 500g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: SSC-144620
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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: 100g
  • 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 3728-20-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ≥97% 0 Out of Stock Shenzhen Inquiry

3728-20-9 / methyl (2S)-2-amino-3-(4-hydroxyphenyl)propanoate;hydrochloride

Standard CAS: 3728-20-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
3728-20-9
Multi CAS
Yes
Molecular Formula
C10H14CLNO3
Molecular Weight
231.670000
Exact Mass
231.066221
InChI
InChI=1S/C10H13NO3.ClH/c1-14-10(13)9(11)6-7-2-4-8(12)5-3-7;/h2-5,9,12H,6,11H2,1H3;1H/t9-;/m1./s1
InChIKey
VXYFARNRGZWHTJ-SBSPUUFOSA-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
59.05
TPSA
72.55

LogP / Solubility

WLOGP
0.86
MLOGP
0.76
XLogP3
0.86
Consensus LogP
0.83
Log S (ESOL)
-1.91
Class (ESOL)
Soluble
Log S (Ali)
-2.08
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.24
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)
-3.52

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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