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CAS 34635-34-2 2-(4-MethylphenylsulfonaMido)-3-phenylpropanoic acid molecular structure lightbox
CAS RN: 34635-34-2

2-(4-MethylphenylsulfonaMido)-3-phenylpropanoic acid

  • Product code: SSC-141173
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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: 5g
  • 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 34635-34-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

34635-34-2 / (2S)-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoic acid

Standard CAS: 34635-34-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
34635-34-2
Multi CAS
Yes
Molecular Formula
C16H17NO4S
Molecular Weight
319.400000
Exact Mass
319.087829
InChI
InChI=1S/C16H17NO4S/c1-12-7-9-14(10-8-12)22(20,21)17-15(16(18)19)11-13-5-3-2-4-6-13/h2-10,15,17H,11H2,1H3,(H,18,19)
InChIKey
CGRCVIZBNRUWLY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
12
Fraction Csp3
0.19
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
2
Molar refractivity
83.07
TPSA
83.47

LogP / Solubility

WLOGP
1.97
MLOGP
1.75
XLogP3
2.8
Consensus LogP
2.17
Log S (ESOL)
-3.07
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.6
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.09
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.27

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3

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