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: 5g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 5g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
1443-76-1 / 4-hydroxy-3,5-dimethoxybenzohydrazide
Basic Information
CAS
1443-76-1
Multi CAS
No
Molecular Formula
C9H12N2O4
Molecular Weight
212.200000
Exact Mass
212.079707
SMILES
COC1=CC(=CC(=C1O)OC)C(=O)NN
InChI
InChI=1S/C9H12N2O4/c1-14-6-3-5(9(13)11-10)4-7(15-2)8(6)12/h3-4,12H,10H2,1-2H3,(H,11,13)
InChIKey
AKZAAANGIPRVDU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
3
Molar refractivity
52.86
TPSA
93.81
LogP / Solubility
WLOGP
0.01
MLOGP
0.01
Consensus LogP
0.01
Log S (ESOL)
-1.26
Class (ESOL)
Soluble
Log S (Ali)
-1.31
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.41
Class (SILICOS-IT)
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)
-4.01
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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- CAS RN: 1445-15-4
- Product Code: starshine_CAS1445-15-4
- Purity/Analytical method: >99.0%
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ETHYL 3-CHLORO-6-METHYLPYRIDAZINE-4-CARBOXYLATE
- CAS RN: 1445-53-0
- Product Code: SSC-055682
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