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CAS 438030-75-2 5-[ALLYL-(4-METHOXY-PHENYL)-SULFAMOYL]-2-CHLORO-BENZOIC ACID molecular structure lightbox
CAS RN: 438030-75-2

5-[ALLYL-(4-METHOXY-PHENYL)-SULFAMOYL]-2-CHLORO-BENZOIC ACID

  • Product code: SSC-151871
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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 438030-75-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

438030-75-2 / 2-chloro-5-[(4-methoxyphenyl)-prop-2-enylsulfamoyl]benzoic acid

Standard CAS: 438030-75-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
438030-75-2
Multi CAS
No
Molecular Formula
C17H16CLNO5S
Molecular Weight
381.800000
Exact Mass
381.043772
InChI
InChI=1S/C17H16ClNO5S/c1-3-10-19(12-4-6-13(24-2)7-5-12)25(22,23)14-8-9-16(18)15(11-14)17(20)21/h3-9,11H,1,10H2,2H3,(H,20,21)
InChIKey
BZPCJEIKGXJCIU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
12
Fraction Csp3
0.12
Rotatable bonds
7
H-bond acceptors
4
H-bond donors
1
Molar refractivity
96.13
TPSA
83.91

LogP / Solubility

WLOGP
3.43
MLOGP
3.04
XLogP3
3.4
Consensus LogP
3.29
Log S (ESOL)
-4.26
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.17
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.83
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.62

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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