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
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 |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
263567-38-0 / 4-bromo-3,5-dimethoxybenzohydrazide
Basic Information
CAS
263567-38-0
Multi CAS
No
Molecular Formula
C9H11BrN2O3
Molecular Weight
275.100000
Exact Mass
273.995300
SMILES
COC1=CC(=CC(=C1Br)OC)C(=O)NN
InChI
InChI=1S/C9H11BrN2O3/c1-14-6-3-5(9(13)12-11)4-7(15-2)8(6)10/h3-4H,11H2,1-2H3,(H,12,13)
InChIKey
FOUWHKNTQJDOLX-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
4
H-bond donors
2
Molar refractivity
58.9
TPSA
73.58
LogP / Solubility
WLOGP
1.07
MLOGP
0.95
XLogP3
1.1
Consensus LogP
1.04
Log S (ESOL)
-2.32
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.59
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.7
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.64
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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Buergerinin G
- CAS RN: 263764-83-6
- Product Code: starshine_CAS263764-83-6
- Purity/Analytical method: >99.0%
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