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CAS 851785-21-2 methyl (S)-2-amino-3-(3-(methylsulfonyl)phenyl)propanoate hydrochloride molecular structure lightbox
CAS RN: 851785-21-2

methyl (S)-2-amino-3-(3-(methylsulfonyl)phenyl)propanoate hydrochloride

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250729 50mg / 250mg / 1g / 5g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: SSC-193394
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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 851785-21-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

851785-21-2 / methyl 2-amino-3-(3-methylsulfonylphenyl)propanoate;hydrochloride

Standard CAS: 851785-21-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
851785-21-2
Multi CAS
Yes
Molecular Formula
C11H16CLNO4S
Molecular Weight
293.770000
Exact Mass
293.048857
InChI
InChI=1S/C11H15NO4S.ClH/c1-16-11(13)10(12)7-8-4-3-5-9(6-8)17(2,14)15;/h3-6,10H,7,12H2,1-2H3;1H/t10-;/m0./s1
InChIKey
VUUYKOLKOIYVCR-PPHPATTJSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
1
Molar refractivity
70.5
TPSA
86.46

LogP / Solubility

WLOGP
0.55
MLOGP
0.5
XLogP3
0.55
Consensus LogP
0.53
Log S (ESOL)
-1.99
Class (ESOL)
Soluble
Log S (Ali)
-2.37
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.51
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)
-4.12

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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