CAS RN: 117048-59-6
Combretastatin A4
Product Availability
Choose a grade to view its available package options.
8 package records7 with current stock2 grade groups
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20260520 | 100mg | In stock | Inquiry |
| Batchno.20251228 | 1g | In stock | Inquiry |
| Batchno.20260604 | 250mg | Out of stock | Inquiry |
| Batchno.20250105 | 25mg | In stock | Inquiry |
| Batchno.20250801 | 500mg | In stock | Inquiry |
| Batchno.20250518 | 50mg | In stock | Inquiry |
| Batchno.20250113 | 5mg | In stock | Inquiry |
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20260629 | 1ml | In stock | Inquiry |
- Product code: SSC-016875
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: ≥98%
- 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 | ≥98% | 0 Out of Stock | Beijing | Inquiry |
117048-59-6 / 2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenol
2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenol | DTXSID50275721 | 2-methoxy-5-(2-(3,4,5-trimethoxyphenyl)ethenyl)phenol
Basic Information
CAS
117048-59-6
Multi CAS
Yes
Molecular Formula
C18H20O5
Molecular Weight
316.300000
Exact Mass
316.131074
SMILES
COC1=C(C=C(C=C1)/C=C\C2=CC(=C(C(=C2)OC)OC)OC)O
InChI
InChI=1S/C18H20O5/c1-20-15-8-7-12(9-14(15)19)5-6-13-10-16(21-2)18(23-4)17(11-13)22-3/h5-11,19H,1-4H3/b6-5-
InChIKey
HVXBOLULGPECHP-WAYWQWQTSA-N
Synonyms
2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenol
DTXSID50275721
2-methoxy-5-(2-(3,4,5-trimethoxyphenyl)ethenyl)phenol
RefChem:262598
DTXCID70227121
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
12
Fraction Csp3
0.22
Rotatable bonds
6
H-bond acceptors
5
H-bond donors
1
Molar refractivity
89.68
TPSA
57.15
LogP / Solubility
WLOGP
3.6
MLOGP
3.18
XLogP3
3.7
Consensus LogP
3.49
Log S (ESOL)
-4.06
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.75
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.42
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.1
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
Safety & Transport
Pictogram(s)
Corrosive
Acute Toxic
Signal
Danger
GHS Hazard Statements
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
H311 (100%): Toxic in contact with skin [Danger Acute toxicity, dermal]
H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
H331 (100%): Toxic if inhaled [Danger Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P354+P338, P316, P317, P321, P330, P361+P364, P403+P233, P405, and P501
