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CAS 690967-38-5 2-(5-Chloro-2-methoxyphenyl)-1,3-dioxoisoindoline-5-carboxylic acid molecular structure lightbox
CAS RN: 690967-38-5

2-(5-Chloro-2-methoxyphenyl)-1,3-dioxoisoindoline-5-carboxylic acid

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251228 100mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: SSC-178731
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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 690967-38-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

690967-38-5 / 2-(5-chloro-2-methoxyphenyl)-1,3-dioxoisoindole-5-carboxylic acid

Standard CAS: 690967-38-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
690967-38-5
Multi CAS
No
Molecular Formula
C16H10CLNO5
Molecular Weight
331.700000
Exact Mass
331.024750
InChI
InChI=1S/C16H10ClNO5/c1-23-13-5-3-9(17)7-12(13)18-14(19)10-4-2-8(16(21)22)6-11(10)15(18)20/h2-7H,1H3,(H,21,22)
InChIKey
YBQQHQBIVPEHNY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
12
Fraction Csp3
0.06
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
82.55
TPSA
83.91

LogP / Solubility

WLOGP
2.85
MLOGP
2.52
XLogP3
2.6
Consensus LogP
2.66
Log S (ESOL)
-3.88
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.34
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.54
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
No
Log Kp (skin permeation)
-2.72

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5

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