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 |
35274-53-4 / 2-bromo-3,4,5-trimethoxybenzaldehyde
Basic Information
CAS
35274-53-4
Multi CAS
Yes
Molecular Formula
C10H11BRO4
Molecular Weight
275.100000
Exact Mass
273.984070
InChI
InChI=1S/C10H11BrO4/c1-13-7-4-6(5-12)8(11)10(15-3)9(7)14-2/h4-5H,1-3H3
InChIKey
LADPQZFHJVANIP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
59.19
TPSA
44.76
LogP / Solubility
WLOGP
2.29
MLOGP
2.02
XLogP3
2
Consensus LogP
2.1
Log S (ESOL)
-3.02
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.47
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.83
Class (SILICOS-IT)
Poorly 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)
-2.77
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
Customers Also Viewed
-
-
-
-
-
3-O-alpha-L-Arabinopyranosylpomolic acid beta-D-glucopyranosyl ester
- CAS RN: 35286-58-9
- Product Code: starshine_CAS35286-58-9
- Purity/Analytical method: >99.0%
-
Ziyuglycoside II
- CAS RN: 35286-59-0
- Product Code: starshine_CAS35286-59-0
- Purity/Analytical method: >99.0%
