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CAS 21533-63-1 2-HYDRAZINOBENZOIC ACID METHYL ESTER HYDROCHLORIDE molecular structure lightbox
CAS RN: 21533-63-1

2-HYDRAZINOBENZOIC ACID METHYL ESTER HYDROCHLORIDE

  • Product code: SSC-103194
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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: ＞97%
  • 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 21533-63-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

21533-63-1 / methyl 2-hydrazinylbenzoate;hydrochloride

Standard CAS: 21533-63-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
21533-63-1
Multi CAS
No
Molecular Formula
C8H11ClN2O2
Molecular Weight
202.640000
Exact Mass
202.050905
SMILES
COC(=O)C1=CC=CC=C1NN.Cl
InChI
InChI=1S/C8H10N2O2.ClH/c1-12-8(11)6-4-2-3-5-7(6)10-9;/h2-5,10H,9H2,1H3;1H
InChIKey
BQMZPDCLKGUAEV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
52.84
TPSA
64.35

LogP / Solubility

WLOGP
1.18
MLOGP
1.04
XLogP3
1.18
Consensus LogP
1.13
Log S (ESOL)
-2.05
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.07
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.2
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)
-3.12

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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