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CAS 36974-65-9 3-{[(4-CHLOROPHENYL)SULFONYL]AMINO}PROPANOIC ACID molecular structure lightbox
CAS RN: 36974-65-9

3-{[(4-CHLOROPHENYL)SULFONYL]AMINO}PROPANOIC ACID

  • Product code: SSC-144275
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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 36974-65-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

36974-65-9 / 3-[(4-chlorophenyl)sulfonylamino]propanoic acid

Standard CAS: 36974-65-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
36974-65-9
Multi CAS
Yes
Molecular Formula
C9H10CLNO4S
Molecular Weight
263.700000
Exact Mass
263.001907
InChI
InChI=1S/C9H10ClNO4S/c10-7-1-3-8(4-2-7)16(14,15)11-6-5-9(12)13/h1-4,11H,5-6H2,(H,12,13)
InChIKey
LLOGDSQFNVFUAW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
2
Molar refractivity
58.89
TPSA
83.47

LogP / Solubility

WLOGP
1.09
MLOGP
0.97
XLogP3
1
Consensus LogP
1.02
Log S (ESOL)
-2.11
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.51
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.88
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.55

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5

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