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CAS 1270132-45-0 (R)-2-amino-3-(3-(methylsulfonyl)phenyl)propanoic acid molecular structure lightbox
CAS RN: 1270132-45-0

(R)-2-amino-3-(3-(methylsulfonyl)phenyl)propanoic acid

  • Product code: SSC-034416
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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: ≥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 1270132-45-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1270132-45-0 / (2R)-2-amino-3-(3-methylsulfonylphenyl)propanoic acid

Standard CAS: 1270132-45-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1270132-45-0
Multi CAS
No
Molecular Formula
C10H13NO4S
Molecular Weight
243.280000
Exact Mass
243.056529
SMILES
CS(=O)(=O)C1=CC=CC(=C1)C[C@H](C(=O)O)N
InChI
InChI=1S/C10H13NO4S/c1-16(14,15)8-4-2-3-7(5-8)6-9(11)10(12)13/h2-5,9H,6,11H2,1H3,(H,12,13)/t9-/m1/s1
InChIKey
QKZNLZTVEVNSPE-SECBINFHSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
2
Molar refractivity
58.87
TPSA
97.46

LogP / Solubility

WLOGP
0.04
MLOGP
0.04
XLogP3
-2.2
Consensus LogP
-0.71
Log S (ESOL)
-1.39
Class (ESOL)
Soluble
Log S (Ali)
-1.59
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.76
Class (SILICOS-IT)
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)
-4.17

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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