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CAS 34385-94-9 5-CHLORO-2,3-DIHYDRO-1-BENZOFURAN-2-CARBOXYLIC ACID molecular structure lightbox
CAS RN: 34385-94-9

5-CHLORO-2,3-DIHYDRO-1-BENZOFURAN-2-CARBOXYLIC ACID

  • Product code: SSC-140767
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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 34385-94-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

34385-94-9 / 5-chloro-2,3-dihydro-1-benzofuran-2-carboxylic acid

Standard CAS: 34385-94-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
34385-94-9
Multi CAS
Yes
Molecular Formula
C9H7CLO3
Molecular Weight
198.600000
Exact Mass
198.008372
InChI
InChI=1S/C9H7ClO3/c10-6-1-2-7-5(3-6)4-8(13-7)9(11)12/h1-3,8H,4H2,(H,11,12)
InChIKey
DVOUUBIBLOOFKC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
47.21
TPSA
46.53

LogP / Solubility

WLOGP
1.73
MLOGP
1.52
XLogP3
2.1
Consensus LogP
1.78
Log S (ESOL)
-2.44
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.44
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.51
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.7

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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