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CAS 37902-01-5 4-AMino-3-chloro-5-nitrobenzoic acid molecular structure lightbox
CAS RN: 37902-01-5

4-AMino-3-chloro-5-nitrobenzoic acid

  • Product code: SSC-145343
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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 37902-01-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

37902-01-5 / 4-amino-3-chloro-5-nitrobenzoic acid

Standard CAS: 37902-01-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
37902-01-5
Multi CAS
No
Molecular Formula
C7H5CLN2O4
Molecular Weight
216.580000
Exact Mass
215.993784
InChI
InChI=1S/C7H5ClN2O4/c8-4-1-3(7(11)12)2-5(6(4)9)10(13)14/h1-2H,9H2,(H,11,12)
InChIKey
RYHFFQWATLLGPV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
49.48
TPSA
106.46

LogP / Solubility

WLOGP
1.53
MLOGP
1.35
XLogP3
1.8
Consensus LogP
1.56
Log S (ESOL)
-2.33
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.44
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.58
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.96

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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